From b486b3e7c7410894a208d14735c078782c2e8c58 Mon Sep 17 00:00:00 2001
From: haeussma <83341109+haeussma@users.noreply.github.com>
Date: Sun, 3 Mar 2024 12:15:24 +0100
Subject: [PATCH] renamed analyzer class

---
 HPLC/tools/hplcanalyzer.py                   |   129 +-
 chromatopy/core/chromatigraphicexperiment.py |   119 +-
 chromatopy/readers/abstractreader.py         |    16 +-
 examples/kr/lc.ipynb                         | 12190 +----------------
 specifications/chromatography.md             |    21 +-
 5 files changed, 230 insertions(+), 12245 deletions(-)

diff --git a/HPLC/tools/hplcanalyzer.py b/HPLC/tools/hplcanalyzer.py
index 73d0d7c..2d1015e 100644
--- a/HPLC/tools/hplcanalyzer.py
+++ b/HPLC/tools/hplcanalyzer.py
@@ -24,13 +24,13 @@ class HPLCAnalyzer(BaseModel):
     internal_standards: Dict[str, Molecule] = Field(default_factory=DottedDict)
 
     def add_analyte(
-            self,
-            name: str,
-            retention_time: float,
-            molecular_weight: float = None,
-            inchi: str = None,
-            tolerance: float = 0.1,
-            detector: SignalType = "fid"
+        self,
+        name: str,
+        retention_time: float,
+        molecular_weight: float = None,
+        inchi: str = None,
+        tolerance: float = 0.1,
+        detector: SignalType = "fid",
     ) -> Molecule:
 
         analyte = self._set_molecule(
@@ -40,7 +40,7 @@ def add_analyte(
             molecular_weight=molecular_weight,
             inchi=inchi,
             tolerance=tolerance,
-            detector=detector
+            detector=detector,
         )
 
         self.analytes[name] = analyte
@@ -48,15 +48,15 @@ def add_analyte(
         return analyte
 
     def add_internal_standard(
-            self,
-            name: str,
-            retention_time: float,
-            concentrations: List[float],
-            signals: List[float],
-            molecular_weight: float,
-            inchi: str = None,
-            tolerance: float = 0.1,
-            detector: SignalType = "fid"
+        self,
+        name: str,
+        retention_time: float,
+        concentrations: List[float],
+        signals: List[float],
+        molecular_weight: float,
+        inchi: str = None,
+        tolerance: float = 0.1,
+        detector: SignalType = "fid",
     ) -> Molecule:
 
         internal_standard = self._set_molecule(
@@ -68,7 +68,7 @@ def add_internal_standard(
             molecular_weight=molecular_weight,
             inchi=inchi,
             tolerance=tolerance,
-            detector=detector
+            detector=detector,
         )
 
         self.internal_standards[name] = internal_standard
@@ -76,9 +76,9 @@ def add_internal_standard(
         return internal_standard
 
     def calculate_concentrations(
-            self,
-            analytes: List[Molecule] = None,
-            internal_standard: Molecule = None,
+        self,
+        analytes: List[Molecule] = None,
+        internal_standard: Molecule = None,
     ):
 
         if analytes is None:
@@ -96,13 +96,9 @@ def calculate_concentrations(
             )
 
         for analyte in self.analytes.values():
-            analyte.calculate_concentrations(
-                internal_standard=internal_standard)
+            analyte.calculate_concentrations(internal_standard=internal_standard)
 
-    def _analytes_to_records(
-            self,
-            analytes: List[Molecule] = None
-    ) -> List[Dict]:
+    def _analytes_to_records(self, analytes: List[Molecule] = None) -> List[Dict]:
 
         if analytes is None:
             analytes = self.analytes.values()
@@ -119,9 +115,7 @@ def _analytes_to_records(
                 )
 
             for time, rel_time, concenrtation in zip(
-                    analyte.times,
-                    analyte.minutes,
-                    analyte.concentrations
+                analyte.times, analyte.minutes, analyte.concentrations
             ):
 
                 dict_records.append(
@@ -129,15 +123,14 @@ def _analytes_to_records(
                         "name": analyte.name,
                         "time": time,
                         "rel_time": rel_time,
-                        "concentration": concenrtation
+                        "concentration": concenrtation,
                     }
                 )
 
         return dict_records
 
     def _get_concentration_dict(
-            self,
-            analytes: List[Molecule] = None
+        self, analytes: List[Molecule] = None
     ) -> Dict[str, List[float]]:
 
         if analytes is None:
@@ -147,8 +140,7 @@ def _get_concentration_dict(
 
         # Get unique times across all analytes
         unique_times = self._get_sorted_set_of_attr_values(
-            objects=analytes,
-            attribute="minutes"
+            objects=analytes, attribute="minutes"
         )
 
         molecules_conc_dict = defaultdict(list)
@@ -159,24 +151,23 @@ def _get_concentration_dict(
                 if time in set(analyte.minutes):
                     pos = analyte.minutes.index(time)
                     molecules_conc_dict[analyte.name].append(
-                        analyte.concentrations[pos])
+                        analyte.concentrations[pos]
+                    )
                 else:
                     molecules_conc_dict[analyte.name].append(float("nan"))
 
         return molecules_conc_dict
 
     def visualize_concentrations(
-            self,
-            analytes: List[Molecule] = None,
+        self,
+        analytes: List[Molecule] = None,
     ):
         if analytes is None:
             analytes = self.analytes.values()
         if isinstance(analytes, Molecule):
             analytes = [analytes]
 
-        df = pd.DataFrame.from_records(
-            self._analytes_to_records(analytes=analytes)
-        )
+        df = pd.DataFrame.from_records(self._analytes_to_records(analytes=analytes))
 
         return px.scatter(
             data_frame=df,
@@ -188,24 +179,22 @@ def visualize_concentrations(
     def visualize_measurements(self, detector: SignalType = "fid"):
 
         df = pd.DataFrame(self.data._get_peak_records())
-        df = df[df['signal_type'] == detector]
+        df = df[df["signal_type"] == detector]
 
         return px.scatter(
             x=df["timestamp"],
             y=df["retention_time"],
             color=np.log(df["area"]),
             labels=dict(
-                x="time of HPLC run",
-                y="retention time / min",
-                color="log(peak area)"
+                x="time of HPLC run", y="retention time / min", color="log(peak area)"
             ),
             title=f"{detector} detector data",
         )
 
     def to_csv(
-            self,
-            path: str,
-            analytes: List[Molecule] = None,
+        self,
+        path: str,
+        analytes: List[Molecule] = None,
     ) -> None:
 
         if analytes is None:
@@ -221,23 +210,21 @@ def to_csv(
         return df.to_csv(path)
 
     def _set_molecule(
-            self,
-            name: str,
-            retention_time: float,
-            role: Role,
-            molecular_weight: float = None,
-            concentrations: float = None,
-            signals: float = None,
-            concentration_unit: str = None,
-            inchi: str = None,
-            tolerance: float = 0.1,
-            detector: SignalType = "fid"
+        self,
+        name: str,
+        retention_time: float,
+        role: Role,
+        molecular_weight: float = None,
+        concentrations: float = None,
+        signals: float = None,
+        concentration_unit: str = None,
+        inchi: str = None,
+        tolerance: float = 0.1,
+        detector: SignalType = "fid",
     ):
 
         times, peaks = self._get_peaks_by_retention_time(
-            retention_time=retention_time,
-            tolerance=tolerance,
-            detector=detector
+            retention_time=retention_time, tolerance=tolerance, detector=detector
         )
 
         molecule = Molecule(
@@ -247,7 +234,7 @@ def _set_molecule(
             molecular_weight=molecular_weight,
             times=times,
             peaks=peaks,
-            role=role
+            role=role,
         )
 
         if concentrations is not None and signals is not None:
@@ -255,7 +242,7 @@ def _set_molecule(
                 molecule=molecule,
                 concentrations=concentrations,
                 signals=signals,
-                concentration_unit=concentration_unit
+                concentration_unit=concentration_unit,
             )
 
         return molecule
@@ -278,13 +265,12 @@ def _get_peaks_by_retention_time(
             time = measurement.timestamp
 
             detector_signals = measurement.get(
-                path="signals",
-                attribute="type",
-                target=detector
+                path="signals", attribute="type", target=detector
             )[0][0]
 
             peaks_in_retention_interval = [
-                peak for peak in detector_signals.peaks
+                peak
+                for peak in detector_signals.peaks
                 if lower_ret < peak.retention_time < upper_ret
             ]
 
@@ -308,8 +294,7 @@ def _get_peaks_by_retention_time(
     def _get_sorted_set_of_attr_values(objects: list, attribute: Any) -> List:
         """Gets a sorted set of unique values of a given attribute from a list of objects"""
 
-        uniques = set(
-            value for obj in objects for value in getattr(obj, attribute))
+        uniques = set(value for obj in objects for value in getattr(obj, attribute))
 
         return sorted(uniques)
 
@@ -318,7 +303,7 @@ def _add_standard_to_molecule(
         molecule: Molecule,
         concentrations: List[float],
         signals: List[float],
-        concentration_unit: str
+        concentration_unit: str,
     ):
 
         assert len(concentrations) == len(signals)
@@ -326,7 +311,7 @@ def _add_standard_to_molecule(
         molecule.standard = Standard(
             concentration=concentrations,
             signal=signals,
-            concentration_unit=concentration_unit
+            concentration_unit=concentration_unit,
         )
 
         return molecule
diff --git a/chromatopy/core/chromatigraphicexperiment.py b/chromatopy/core/chromatigraphicexperiment.py
index 731658f..c01c0a7 100644
--- a/chromatopy/core/chromatigraphicexperiment.py
+++ b/chromatopy/core/chromatigraphicexperiment.py
@@ -1,5 +1,7 @@
+from ast import Tuple
 import sdRDM
 
+from datetime import datetime
 from typing import Dict, List, Optional
 from pydantic import PrivateAttr, model_validator
 from uuid import uuid4
@@ -10,10 +12,15 @@
 from sdRDM.base.datatypes import Unit
 from sdRDM.tools.utils import elem2dict
 from datetime import datetime as Datetime
+
+from chromatopy.readers.abstractreader import AbstractReader
 from .molecule import Molecule
 from .method import Method
 from .measurement import Measurement
 from .chromatogram import Chromatogram
+from .role import Role
+from .signaltype import SignalType
+from .peak import Peak
 
 
 @forge_signature
@@ -95,6 +102,116 @@ def add_to_measurements(
         self.measurements.append(Measurement(**params))
         return self.measurements[-1]
 
+    def add_analyte(
+        self,
+        name: str,
+        retention_time: float,
+        molecular_weight: float = None,
+        inchi: str = None,
+        tolerance: float = 0.1,
+    ) -> Molecule:
+
+        analyte = self._set_molecule(
+            name=name,
+            retention_time=retention_time,
+            role=Role.ANALYTE,
+            molecular_weight=molecular_weight,
+            inchi=inchi,
+            tolerance=tolerance,
+        )
+
+        self.analytes[name] = analyte
+
+        return analyte
+
+    def _set_molecule(
+        self,
+        name: str,
+        retention_time: float,
+        role: Role,
+        molecular_weight: float = None,
+        concentrations: float = None,
+        signals: float = None,
+        concentration_unit: str = None,
+        inchi: str = None,
+        tolerance: float = 0.1,
+        detector: SignalType = "fid",
+    ):
+
+        times, peaks = self._get_peaks_by_retention_time(
+            retention_time=retention_time, tolerance=tolerance, detector=detector
+        )
+
+        molecule = Molecule(
+            name=name,
+            inchi=inchi,
+            retention_time=retention_time,
+            molecular_weight=molecular_weight,
+            times=times,
+            peaks=peaks,
+            role=role,
+        )
+
+        if concentrations is not None and signals is not None:
+            molecule = self._add_standard_to_molecule(
+                molecule=molecule,
+                concentrations=concentrations,
+                signals=signals,
+                concentration_unit=concentration_unit,
+            )
+
+        return molecule
+
+    def _get_peaks_by_retention_time(
+        self,
+        retention_time: float,
+        tolerance: float = 0.1,
+        detector: SignalType = "fid",
+    ) -> "Tuple[List[datetime], List[Peak]]":
+
+        lower_ret = retention_time - tolerance
+        upper_ret = retention_time + tolerance
+
+        times = []
+        peaks = []
+
+        for measurement in self.measurements:
+
+            print(detector)
+
+            time = measurement.timestamp
+
+            detector_signals = measurement.get(
+                path="chromatograms", attribute="type", target=detector
+            )[0]
+
+            peaks_in_retention_interval = [
+                peak
+                for peak in detector_signals.peaks
+                if lower_ret < peak.retention_time < upper_ret
+            ]
+
+            if len(peaks_in_retention_interval) == 1:
+                times.append(time)
+                peaks.append(peaks_in_retention_interval[0])
+
+            elif len(peaks_in_retention_interval) == 0:
+                continue
+
+            else:
+                raise ValueError(
+                    f"Multiple {len(peaks_in_retention_interval)} peaks found within"
+                    f"retention time interval [{lower_ret} : {upper_ret}]"
+                )
+
+        assert len(times) == len(peaks)
+        return times, peaks
+
     @classmethod
-    def read(cls, path: str):
+    def read(cls, path: str, reader: AbstractReader):
         """Reads in data from file or direcotry"""
+
+        measurements = reader(path).read()
+        data = {"measurements": measurements}
+
+        return cls(**data)
diff --git a/chromatopy/readers/abstractreader.py b/chromatopy/readers/abstractreader.py
index 30abe68..65e49e5 100644
--- a/chromatopy/readers/abstractreader.py
+++ b/chromatopy/readers/abstractreader.py
@@ -21,6 +21,10 @@ def _paths(self):
         else:
             return [self.path]
 
+    @abstractmethod
+    def read(self):
+        raise NotImplementedError
+
     @abstractmethod
     def read_file(self):
         raise NotImplementedError()
@@ -36,6 +40,9 @@ def extract_signal(self):
 
 class CSVReader(AbstractReader):
 
+    def read(self):
+        pass
+
     def read_csv(self):
         data = pd.read_csv(self.path, header=None)
         return data
@@ -54,7 +61,7 @@ def read_file(self):
 
 
 class ShimadzuReader(AbstractReader):
-    re_sections = re.compile(r"\[(.*)\]")
+    RE_SECTION = re.compile(r"\[(.*)\]")
 
     def _paths(self):
         if self._is_directory:
@@ -66,6 +73,9 @@ def _paths(self):
         else:
             return [self.path]
 
+    def read(self):
+        return [self.read_file(f) for f in self._paths()]
+
     def read_file(self, path: str):
         """
         Reads the contents of one or multiple files and returns them as a list of strings.
@@ -80,7 +90,7 @@ def read_file(self, path: str):
         peak_dict = self.extract_peaks(sections)
         chromatogram_dict = self.extract_signal(sections)
         chromatogram_dict["peaks"] = peak_dict
-        measurement_dict["Chromatograms"] = [chromatogram_dict]
+        measurement_dict["chromatograms"] = [chromatogram_dict]
 
         return measurement_dict
 
@@ -116,7 +126,7 @@ def _parse_sections(self, file_content: str) -> dict:
         """Parse a Shimadzu ASCII-export file into sections."""
 
         # Split file into sections using section header pattern
-        section_splits = re.split(self.re_sections, file_content)
+        section_splits = re.split(self.RE_SECTION, file_content)
         if len(section_splits[0]) != 0:
             raise IOError("The file should start with a section header")
 
diff --git a/examples/kr/lc.ipynb b/examples/kr/lc.ipynb
index d300f6b..d513f77 100644
--- a/examples/kr/lc.ipynb
+++ b/examples/kr/lc.ipynb
@@ -1,12210 +1,82 @@
 {
  "cells": [
   {
-   "cell_type": "code",
-   "execution_count": 2,
+   "cell_type": "markdown",
    "metadata": {},
-   "outputs": [],
    "source": [
-    "%reload_ext autoreload\n",
-    "%autoreload 2\n",
-    "import pandas as pd\n",
-    "from io import StringIO\n",
-    "from chromatopy.readers import ShimadzuReader"
+    "# Shimadzu LC"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 1,
    "metadata": {},
    "outputs": [],
    "source": [
-    "path_dir = \"/Users/max/Documents/training_course/martina\"\n",
-    "path_file = \"/Users/max/Documents/training_course/martina/Output-sample 0.txt\""
+    "%reload_ext autoreload\n",
+    "%autoreload 2\n",
+    "from chromatopy.core import ChromatigraphicExperiment\n",
+    "from chromatopy.readers import ShimadzuReader"
    ]
   },
   {
-   "cell_type": "code",
-   "execution_count": 20,
+   "cell_type": "markdown",
    "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/plain": [
-       "{'timestamp': datetime.datetime(2023, 12, 12, 11, 15, 12),\n",
-       " 'injection_volume': 20.0,\n",
-       " 'injection_volume_unit': 'µL',\n",
-       " 'Chromatograms': [{'retention_times': [0.0,\n",
-       "    0.00833,\n",
-       "    0.01667,\n",
-       "    0.025,\n",
-       "    0.03333,\n",
-       "    0.04167,\n",
-       "    0.05,\n",
-       "    0.05833,\n",
-       "    0.06667,\n",
-       "    0.075,\n",
-       "    0.08333,\n",
-       "    0.09167,\n",
-       "    0.1,\n",
-       "    0.10833,\n",
-       "    0.11667,\n",
-       "    0.125,\n",
-       "    0.13333,\n",
-       "    0.14167,\n",
-       "    0.15,\n",
-       "    0.15833,\n",
-       "    0.16667,\n",
-       "    0.175,\n",
-       "    0.18333,\n",
-       "    0.19167,\n",
-       "    0.2,\n",
-       "    0.20833,\n",
-       "    0.21667,\n",
-       "    0.225,\n",
-       "    0.23333,\n",
-       "    0.24167,\n",
-       "    0.25,\n",
-       "    0.25833,\n",
-       "    0.26667,\n",
-       "    0.275,\n",
-       "    0.28333,\n",
-       "    0.29167,\n",
-       "    0.3,\n",
-       "    0.30833,\n",
-       "    0.31667,\n",
-       "    0.325,\n",
-       "    0.33333,\n",
-       "    0.34167,\n",
-       "    0.35,\n",
-       "    0.35833,\n",
-       "    0.36667,\n",
-       "    0.375,\n",
-       "    0.38333,\n",
-       "    0.39167,\n",
-       "    0.4,\n",
-       "    0.40833,\n",
-       "    0.41667,\n",
-       "    0.425,\n",
-       "    0.43333,\n",
-       "    0.44167,\n",
-       "    0.45,\n",
-       "    0.45833,\n",
-       "    0.46667,\n",
-       "    0.475,\n",
-       "    0.48333,\n",
-       "    0.49167,\n",
-       "    0.5,\n",
-       "    0.50833,\n",
-       "    0.51667,\n",
-       "    0.525,\n",
-       "    0.53333,\n",
-       "    0.54167,\n",
-       "    0.55,\n",
-       "    0.55833,\n",
-       "    0.56667,\n",
-       "    0.575,\n",
-       "    0.58333,\n",
-       "    0.59167,\n",
-       "    0.6,\n",
-       "    0.60833,\n",
-       "    0.61667,\n",
-       "    0.625,\n",
-       "    0.63333,\n",
-       "    0.64167,\n",
-       "    0.65,\n",
-       "    0.65833,\n",
-       "    0.66667,\n",
-       "    0.675,\n",
-       "    0.68333,\n",
-       "    0.69167,\n",
-       "    0.7,\n",
-       "    0.70833,\n",
-       "    0.71667,\n",
-       "    0.725,\n",
-       "    0.73333,\n",
-       "    0.74167,\n",
-       "    0.75,\n",
-       "    0.75833,\n",
-       "    0.76667,\n",
-       "    0.775,\n",
-       "    0.78333,\n",
-       "    0.79167,\n",
-       "    0.8,\n",
-       "    0.80833,\n",
-       "    0.81667,\n",
-       "    0.825,\n",
-       "    0.83333,\n",
-       "    0.84167,\n",
-       "    0.85,\n",
-       "    0.85833,\n",
-       "    0.86667,\n",
-       "    0.875,\n",
-       "    0.88333,\n",
-       "    0.89167,\n",
-       "    0.9,\n",
-       "    0.90833,\n",
-       "    0.91667,\n",
-       "    0.925,\n",
-       "    0.93333,\n",
-       "    0.94167,\n",
-       "    0.95,\n",
-       "    0.95833,\n",
-       "    0.96667,\n",
-       "    0.975,\n",
-       "    0.98333,\n",
-       "    0.99167,\n",
-       "    1.0,\n",
-       "    1.00833,\n",
-       "    1.01667,\n",
-       "    1.025,\n",
-       "    1.03333,\n",
-       "    1.04167,\n",
-       "    1.05,\n",
-       "    1.05833,\n",
-       "    1.06667,\n",
-       "    1.075,\n",
-       "    1.08333,\n",
-       "    1.09167,\n",
-       "    1.1,\n",
-       "    1.10833,\n",
-       "    1.11667,\n",
-       "    1.125,\n",
-       "    1.13333,\n",
-       "    1.14167,\n",
-       "    1.15,\n",
-       "    1.15833,\n",
-       "    1.16667,\n",
-       "    1.175,\n",
-       "    1.18333,\n",
-       "    1.19167,\n",
-       "    1.2,\n",
-       "    1.20833,\n",
-       "    1.21667,\n",
-       "    1.225,\n",
-       "    1.23333,\n",
-       "    1.24167,\n",
-       "    1.25,\n",
-       "    1.25833,\n",
-       "    1.26667,\n",
-       "    1.275,\n",
-       "    1.28333,\n",
-       "    1.29167,\n",
-       "    1.3,\n",
-       "    1.30833,\n",
-       "    1.31667,\n",
-       "    1.325,\n",
-       "    1.33333,\n",
-       "    1.34167,\n",
-       "    1.35,\n",
-       "    1.35833,\n",
-       "    1.36667,\n",
-       "    1.375,\n",
-       "    1.38333,\n",
-       "    1.39167,\n",
-       "    1.4,\n",
-       "    1.40833,\n",
-       "    1.41667,\n",
-       "    1.425,\n",
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-       "    {'retention_time': 6.57,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 6.417,\n",
-       "     'peak_end': 6.708,\n",
-       "     'height': 2962,\n",
-       "     'area': 51229,\n",
-       "     'width': 0.29100000000000037,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.055},\n",
-       "    {'retention_time': 7.099,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 6.708,\n",
-       "     'peak_end': 7.442,\n",
-       "     'height': 9085,\n",
-       "     'area': 271461,\n",
-       "     'width': 0.734,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.082},\n",
-       "    {'retention_time': 8.063,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 7.442,\n",
-       "     'peak_end': 8.95,\n",
-       "     'height': 74297,\n",
-       "     'area': 2838883,\n",
-       "     'width': 1.5079999999999991,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.138},\n",
-       "    {'retention_time': 9.083,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 8.95,\n",
-       "     'peak_end': 10.367,\n",
-       "     'height': 7811,\n",
-       "     'area': 458569,\n",
-       "     'width': 1.4170000000000016,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.129},\n",
-       "    {'retention_time': 10.392,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 10.367,\n",
-       "     'peak_end': 11.067,\n",
-       "     'height': 3848,\n",
-       "     'area': 150804,\n",
-       "     'width': 0.6999999999999993,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.146},\n",
-       "    {'retention_time': 11.391,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 11.067,\n",
-       "     'peak_end': 12.442,\n",
-       "     'height': 3881,\n",
-       "     'area': 273652,\n",
-       "     'width': 1.375,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.098},\n",
-       "    {'retention_time': 12.567,\n",
-       "     'retention_time_unit': 'min',\n",
-       "     'peak_start': 12.442,\n",
-       "     'peak_end': 14.967,\n",
-       "     'height': 2616,\n",
-       "     'area': 184099,\n",
-       "     'width': 2.5250000000000004,\n",
-       "     'width_unit': 'min',\n",
-       "     'tailing_factor': 0.0,\n",
-       "     'separation_factor': 1.105}]}]}"
-      ]
-     },
-     "execution_count": 20,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
    "source": [
-    "sr = ShimadzuReader(path=path_dir)\n",
+    "## Load the data from a folder\n",
     "\n",
-    "sections = sr.read_file(path_file)\n",
-    "sections"
+    "The folder contains multiple `TXT` files, each file contains the data of a single LC run. The data is mapped to a `ChromatigraphicExperiment` which contains multiple `Experiment` objects, each representing a single run. Each `Experiment` object contains a `Chromatogram` object which contains the actual data. This includes the unprocessed signal over retention time, as well as automatically detected peaks by LCsolution software."
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 21,
+   "execution_count": 2,
    "metadata": {},
    "outputs": [],
    "source": [
-    "from chromatopy.core import Measurement"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 22,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "\u001b[4mMeasurement\u001b[0m\n",
-      "├── \u001b[94mid\u001b[0m = 7cb60ce9-1084-41f2-b01a-18bddf87bf14\n",
-      "├── \u001b[94mChromatograms\u001b[0m\n",
-      "│   └── 0\n",
-      "│       └── \u001b[4mChromatogram\u001b[0m\n",
-      "│           ├── \u001b[94mid\u001b[0m = 0becd88c-d412-418b-85d1-a4d0946d8e24\n",
-      "│           ├── \u001b[94mpeaks\u001b[0m\n",
-      "│           │   ├── 0\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = 0e1230f9-3410-41c3-be74-47f012129e5f\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 0.143\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 719090b5-b9c4-460e-bc9b-e8bd94d62a04\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 0.017\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 0.342\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.325\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = a521f3fe-d06e-4952-872b-12a94203e654\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 1278.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 107.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 1.16\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 0.0\n",
-      "│           │   ├── 1\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = ba40a0ce-32f9-48af-8574-da7253f83a43\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 2.677\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = dae85f27-1311-4dda-8941-3b3f79fdd904\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 2.6\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 2.842\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.242\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = e8ee22d4-5356-4c2a-a95f-32af7ec5fd4d\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 7633.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 868.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 1.54\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 0.0\n",
-      "│           │   ├── 2\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = aaa9fa83-7076-40db-9653-3f60dd4cd5e7\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 3.113\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = d5d3397f-8668-442d-9ccf-9f6991dd1abc\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 2.867\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 3.492\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.625\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 6103c2fe-3b47-495b-9837-85eb0ced5901\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 74069.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 3235.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.172\n",
-      "│           │   ├── 3\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = 35228c97-7b98-4421-baa6-2a2199b13ab4\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 3.674\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = f207260d-790e-420f-af38-21407ff79f60\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 3.492\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 4.225\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.7329999999999997\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 680151e8-6778-4296-a014-528e9c632bf7\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 62448.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 1896.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.189\n",
-      "│           │   ├── 4\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = 2f01d873-7211-4bd1-90f4-80964fcf1c50\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 4.541\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = f781b13e-2988-4b12-b0a3-f8b238a67f92\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 4.225\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 4.858\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.633\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = da0afc46-d037-4818-992f-54a2fadcbbac\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 61821.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 2075.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.246\n",
-      "│           │   ├── 5\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = b8067c7c-9515-4e23-aa11-f4b7f5ff0fb8\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 5.264\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 58254f1b-6716-4a5f-b921-7ad9d1598279\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 4.858\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 6.025\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 1.1670000000000007\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = bf6dfd70-efc5-4369-b404-b0d649ef85fa\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 591150.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 23289.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.164\n",
-      "│           │   ├── 6\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = 29b88ef9-6834-4fe4-8f53-2ff5ce350034\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 6.234\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = bbceb0fb-5688-4a05-aab4-693e7c8b311e\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 6.025\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 6.417\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.39199999999999946\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 5ad389e5-ff97-4c85-96f8-8a7e8a818759\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 69898.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 3040.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.189\n",
-      "│           │   ├── 7\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = fa1705a9-9e02-4e3d-9fec-84496b7de5b7\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 6.57\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = d2515449-d8d8-486d-8650-868fd5266f3c\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 6.417\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 6.708\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.29100000000000037\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = e4cd1145-180f-4056-a663-296e0df4164d\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 51229.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 2962.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.055\n",
-      "│           │   ├── 8\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = 4cfc0c18-b857-4a20-9afc-3df3af74ceb9\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 7.099\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 4e6d918d-0b90-420f-a5a9-1d1a182de1d6\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 6.708\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 7.442\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.734\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = e98c09a8-7d59-4963-a4ef-4400152589c0\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 271461.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 9085.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.082\n",
-      "│           │   ├── 9\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = 09394dd1-4082-4fc6-9b05-e26c1a2433be\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 8.063\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 6481607b-1392-4678-9e14-c172c6829ee0\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 7.442\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 8.95\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 1.5079999999999991\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = b024e3cf-fa2c-494d-a1ef-97395aeb765b\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 2838883.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 74297.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.138\n",
-      "│           │   ├── 10\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = eace9497-5ae3-41fe-b466-09ed1324f996\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 9.083\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 12a673ad-3fa4-404d-ac3e-a694d6094acd\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 8.95\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 10.367\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 1.4170000000000016\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 33862558-aae9-4950-a50c-4f489d015130\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 458569.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 7811.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.129\n",
-      "│           │   ├── 11\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = a176c751-1a26-49ea-974b-2ef5948da724\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 10.392\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 6d7e56d2-82fd-474b-8349-5f7eaf8043ce\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 10.367\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 11.067\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 0.6999999999999993\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 2662d8e3-1457-4d88-b880-65d8e14ff959\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 150804.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 3848.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.146\n",
-      "│           │   ├── 12\n",
-      "│           │   │   └── \u001b[4mPeak\u001b[0m\n",
-      "│           │   │       ├── \u001b[94mid\u001b[0m = e6bdc274-611a-43d0-9147-a7b08563e62e\n",
-      "│           │   │       ├── \u001b[94mretention_time\u001b[0m = 11.391\n",
-      "│           │   │       ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 522fbab3-d38c-43de-ab4c-f2f41009f0ae\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94mpeak_start\u001b[0m = 11.067\n",
-      "│           │   │       ├── \u001b[94mpeak_end\u001b[0m = 12.442\n",
-      "│           │   │       ├── \u001b[94mwidth\u001b[0m = 1.375\n",
-      "│           │   │       ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │   │       │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │   │       │       ├── \u001b[94mid\u001b[0m = 6bd85d0c-f74c-48f2-9c88-77d0aece9dea\n",
-      "│           │   │       │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │   │       │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │   │       │           └── 0\n",
-      "│           │   │       │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │   │       │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │   │       │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │   │       │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │   │       ├── \u001b[94marea\u001b[0m = 273652.0\n",
-      "│           │   │       ├── \u001b[94mheight\u001b[0m = 3881.0\n",
-      "│           │   │       ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │   │       └── \u001b[94mseparation_factor\u001b[0m = 1.098\n",
-      "│           │   └── 13\n",
-      "│           │       └── \u001b[4mPeak\u001b[0m\n",
-      "│           │           ├── \u001b[94mid\u001b[0m = c4022ac1-00e5-48bc-9e19-492c47e85f55\n",
-      "│           │           ├── \u001b[94mretention_time\u001b[0m = 12.567\n",
-      "│           │           ├── \u001b[94mretention_time_unit\u001b[0m\n",
-      "│           │           │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │           │       ├── \u001b[94mid\u001b[0m = 5cd97242-f566-45ba-a3c6-88502704d1d1\n",
-      "│           │           │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │           │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │           │           └── 0\n",
-      "│           │           │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │           │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │           │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │           │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │           ├── \u001b[94mpeak_start\u001b[0m = 12.442\n",
-      "│           │           ├── \u001b[94mpeak_end\u001b[0m = 14.967\n",
-      "│           │           ├── \u001b[94mwidth\u001b[0m = 2.5250000000000004\n",
-      "│           │           ├── \u001b[94mwidth_unit\u001b[0m\n",
-      "│           │           │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │           │       ├── \u001b[94mid\u001b[0m = 61ed63ec-f930-4cff-a80f-ad3c419332a2\n",
-      "│           │           │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │           │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │           │           └── 0\n",
-      "│           │           │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │           │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │           │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │           │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           │           ├── \u001b[94marea\u001b[0m = 184099.0\n",
-      "│           │           ├── \u001b[94mheight\u001b[0m = 2616.0\n",
-      "│           │           ├── \u001b[94mtailing_factor\u001b[0m = 0.0\n",
-      "│           │           └── \u001b[94mseparation_factor\u001b[0m = 1.105\n",
-      "│           ├── \u001b[94mretention_times\u001b[0m = [0.0, 0.00833, 0.01667, 0.025, 0.03333, ...]\n",
-      "│           ├── \u001b[94mtime_unit\u001b[0m\n",
-      "│           │   └── \u001b[4mUnit\u001b[0m\n",
-      "│           │       ├── \u001b[94mid\u001b[0m = 368d3377-0046-48f5-bdd7-2480992f9a56\n",
-      "│           │       ├── \u001b[94mname\u001b[0m = min\n",
-      "│           │       └── \u001b[94mbases\u001b[0m\n",
-      "│           │           └── 0\n",
-      "│           │               └── \u001b[4mBaseUnit\u001b[0m\n",
-      "│           │                   ├── \u001b[94mscale\u001b[0m = 60.0\n",
-      "│           │                   ├── \u001b[94mkind\u001b[0m = s\n",
-      "│           │                   └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "│           └── \u001b[94msignals\u001b[0m = [-0.132, -0.132, -0.052000000000000005, 0.003, 0.008, ...]\n",
-      "├── \u001b[94mtimestamp\u001b[0m = 2023-12-12 11:15:12\n",
-      "├── \u001b[94minjection_volume\u001b[0m = 20.0\n",
-      "└── \u001b[94minjection_volume_unit\u001b[0m\n",
-      "    └── \u001b[4mUnit\u001b[0m\n",
-      "        ├── \u001b[94mid\u001b[0m = 7ae8473c-b3f8-4e58-b2df-47eb54b254d0\n",
-      "        ├── \u001b[94mname\u001b[0m = ul\n",
-      "        └── \u001b[94mbases\u001b[0m\n",
-      "            └── 0\n",
-      "                └── \u001b[4mBaseUnit\u001b[0m\n",
-      "                    ├── \u001b[94mscale\u001b[0m = 1e-06\n",
-      "                    ├── \u001b[94mkind\u001b[0m = l\n",
-      "                    └── \u001b[94mexponent\u001b[0m = 1.0\n",
-      "\n"
-     ]
-    }
-   ],
-   "source": [
-    "c = Measurement(**sections)\n",
-    "print(c)"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": 40,
-   "metadata": {},
-   "outputs": [
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-          "xaxis": {
-           "automargin": true,
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-           "title": {
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-        }
-       }
-      }
-     },
-     "metadata": {},
-     "output_type": "display_data"
-    }
-   ],
-   "source": [
-    "import plotly.graph_objects as go\n",
+    "path_dir = \"/Users/max/Documents/training_course/martina\"\n",
     "\n",
-    "fig = go.Figure(go.Scatter(x=c.retention_times, y=c.signals, mode=\"lines\"))\n",
-    "for peak in c.peaks:\n",
-    "    fig.add_vline(x=peak.retention_time, line_width=1, line_color=\"red\")\n",
-    "fig.show()"
+    "ce = ChromatigraphicExperiment.read(path_dir, ShimadzuReader)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 9,
    "metadata": {},
-   "outputs": [
-    {
-     "data": {
-      "text/html": [
-       "<div>\n",
-       "<style scoped>\n",
-       "    .dataframe tbody tr th:only-of-type {\n",
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-       "    }\n",
-       "\n",
-       "    .dataframe tbody tr th {\n",
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-       "\n",
-       "    .dataframe thead th {\n",
-       "        text-align: right;\n",
-       "    }\n",
-       "</style>\n",
-       "<table border=\"1\" class=\"dataframe\">\n",
-       "  <thead>\n",
-       "    <tr style=\"text-align: right;\">\n",
-       "      <th></th>\n",
-       "      <th>Interval(msec)</th>\n",
-       "      <th>500</th>\n",
-       "    </tr>\n",
-       "  </thead>\n",
-       "  <tbody>\n",
-       "    <tr>\n",
-       "      <th>0</th>\n",
-       "      <td># of Points</td>\n",
-       "      <td>1801</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>1</th>\n",
-       "      <td>Start Time(min)</td>\n",
-       "      <td>0.000</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>2</th>\n",
-       "      <td>End Time(min)</td>\n",
-       "      <td>15.000</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>3</th>\n",
-       "      <td>Intensity Units</td>\n",
-       "      <td>mV</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>4</th>\n",
-       "      <td>Intensity Multiplier</td>\n",
-       "      <td>0.001</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>5</th>\n",
-       "      <td>Wavelength(nm)</td>\n",
-       "      <td>215</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>6</th>\n",
-       "      <td>R.Time (min)</td>\n",
-       "      <td>Intensity</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>7</th>\n",
-       "      <td>0.00000</td>\n",
-       "      <td>-132</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>8</th>\n",
-       "      <td>0.00833</td>\n",
-       "      <td>-132</td>\n",
-       "    </tr>\n",
-       "    <tr>\n",
-       "      <th>9</th>\n",
-       "      <td>0.01667</td>\n",
-       "      <td>-52</td>\n",
-       "    </tr>\n",
-       "  </tbody>\n",
-       "</table>\n",
-       "</div>"
-      ],
-      "text/plain": [
-       "         Interval(msec)        500\n",
-       "0           # of Points       1801\n",
-       "1       Start Time(min)      0.000\n",
-       "2         End Time(min)     15.000\n",
-       "3       Intensity Units         mV\n",
-       "4  Intensity Multiplier      0.001\n",
-       "5        Wavelength(nm)        215\n",
-       "6          R.Time (min)  Intensity\n",
-       "7               0.00000       -132\n",
-       "8               0.00833       -132\n",
-       "9               0.01667        -52"
-      ]
-     },
-     "execution_count": 102,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
+   "outputs": [],
    "source": [
-    "pd.read_csv(StringIO(sections[0][\"LC Chromatogram(Detector A-Ch1)\"]), skiprows=0).head(\n",
-    "    10\n",
-    ")"
+    "ce.measurements[0].chromatograms[0].type"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 6,
    "metadata": {},
    "outputs": [
     {
-     "ename": "TypeError",
-     "evalue": "'ShimadzuReader' object is not subscriptable",
-     "output_type": "error",
-     "traceback": [
-      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-      "\u001b[0;31mTypeError\u001b[0m                                 Traceback (most recent call last)",
-      "Cell \u001b[0;32mIn[12], line 5\u001b[0m\n\u001b[1;32m      3\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mmatplotlib\u001b[39;00m\u001b[38;5;21;01m.\u001b[39;00m\u001b[38;5;21;01mpyplot\u001b[39;00m \u001b[38;5;28;01mas\u001b[39;00m \u001b[38;5;21;01mplt\u001b[39;00m\n\u001b[1;32m      4\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mpandas\u001b[39;00m \u001b[38;5;28;01mas\u001b[39;00m \u001b[38;5;21;01mpd\u001b[39;00m\n\u001b[0;32m----> 5\u001b[0m tab \u001b[38;5;241m=\u001b[39m \u001b[43msections\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mLC Chromatogram(Detector A-Ch1)\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m]\u001b[49m\n\u001b[1;32m      7\u001b[0m pd\u001b[38;5;241m.\u001b[39mread_csv(StringIO(tab), skiprows\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m8\u001b[39m)\u001b[38;5;241m.\u001b[39mplot(x\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mR.Time (min)\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[1;32m      8\u001b[0m plt\u001b[38;5;241m.\u001b[39mvlines(\u001b[38;5;241m8.06\u001b[39m, \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m20000\u001b[39m, \u001b[38;5;241m400000\u001b[39m, color\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mred\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n",
-      "\u001b[0;31mTypeError\u001b[0m: 'ShimadzuReader' object is not subscriptable"
+     "name": "stdout",
+     "output_type": "stream",
+     "text": [
+      "fid\n"
      ]
-    }
-   ],
-   "source": [
-    "from io import StringIO\n",
-    "from tokenize import String\n",
-    "import matplotlib.pyplot as plt\n",
-    "import pandas as pd\n",
-    "\n",
-    "tab = sections[\"LC Chromatogram(Detector A-Ch1)\"]\n",
-    "\n",
-    "pd.read_csv(StringIO(tab), skiprows=8).plot(x=\"R.Time (min)\")\n",
-    "plt.vlines(8.06, -20000, 400000, color=\"red\")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "import pandas as pd\n",
-    "\n",
-    "\n",
-    "def parse_meta(self, sections: dict, section_name: str, nrows: int) -> dict:\n",
-    "    \"\"\"Parse the metadata in a section as keys-values.\"\"\"\n",
-    "    meta_table = pd.read_table(\n",
-    "        StringIO(sections[section_name]), nrows=nrows, header=None\n",
-    "    )\n",
-    "    meta = {row[0]: row[1] for _, row in meta_table.iterrows()}\n",
-    "\n",
-    "    return meta\n",
-    "\n",
-    "\n",
-    "def parse_table(\n",
-    "    self, sections: dict, section_name: str, skiprows: int = 1\n",
-    ") -> Optional[pd.DataFrame]:\n",
-    "    \"\"\"Parse the data in a section as a table.\"\"\"\n",
-    "    table_str = sections[section_name]\n",
-    "\n",
-    "    # Count number of non-empty lines\n",
-    "    num_lines = len([l for l in re.split(\"[\\r\\n]+\", table_str) if len(l)])\n",
-    "\n",
-    "    if num_lines <= 1:\n",
-    "        return None\n",
-    "\n",
-    "    return pd.read_table(StringIO(table_str), header=1, skiprows=skiprows)\n",
-    "\n",
-    "\n",
-    "def get_compound_table(sections: dict, detector: str = \"A\"):\n",
-    "    section_name = f\"Compound Results(Detector {detector})\"\n",
-    "    meta = parse_meta(sections, section_name, 1)\n",
-    "    table = parse_table(sections, section_name, skiprows=1)\n",
-    "\n",
-    "    assert (\n",
-    "        table is None or int(meta[\"# of IDs\"]) == table.shape[0]\n",
-    "    ), \"Declared number of compounds and table size differ\"\n",
-    "\n",
-    "    return table"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [
+    },
     {
-     "ename": "AttributeError",
-     "evalue": "'dict' object has no attribute 'get_compound_table'",
+     "ename": "IndexError",
+     "evalue": "list index out of range",
      "output_type": "error",
      "traceback": [
       "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-      "\u001b[0;31mAttributeError\u001b[0m                            Traceback (most recent call last)",
-      "Cell \u001b[0;32mIn[14], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m \u001b[43msections\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mget_compound_table\u001b[49m(sections, detector\u001b[38;5;241m=\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mB\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[1;32m      2\u001b[0m compounds[[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mName\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mConc.\u001b[39m\u001b[38;5;124m\"\u001b[39m]]\u001b[38;5;241m.\u001b[39mto_dict()\n",
-      "\u001b[0;31mAttributeError\u001b[0m: 'dict' object has no attribute 'get_compound_table'"
-     ]
-    }
-   ],
-   "source": [
-    "sections.get_compound_table(sections, detector=\"B\")\n",
-    "compounds[[\"Name\", \"Conc.\"]].to_dict()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "[Header]\n",
-      "Application Name,LCsolution\n",
-      "Version,1.25\n",
-      "Data File Name,C:\\LabSolutions\\Data\\aldolaze\\Martina\\aldolna adicija\\batch_21022012\\EtAc\\0.lcd\n",
-      "Output Date,12.12.2023.\n",
-      "Output Time,11:15:12\n",
-      "\n",
-      "[File Information]\n",
-      "Type,Data File\n",
-      "Generated,21.2.2012. 13:16:32\n",
-      "Generated by,Admin\n",
-      "Modified,21.2.2012. 13:33:38\n",
-      "Modified by,Admin\n",
-      "\n",
-      "[Sample Information]\n",
-      "Operator Name,Admin\n",
-      "Acquired,21.2.2012. 13:16:57\n",
-      "Sample Type,0:Unknown\n",
-      "Level,0\n",
-      "Sample Name,0\n",
-      "Sample ID,\n",
-      "ISTD Amount 1,1\n",
-      "ISTD Amount 2,1\n",
-      "ISTD Amount 3,1\n",
-      "ISTD Amount 4,1\n",
-      "ISTD Amount 5,1\n",
-      "ISTD Amount 6,1\n",
-      "ISTD Amount 7,1\n",
-      "ISTD Amount 8,1\n",
-      "ISTD Amount 9,1\n",
-      "ISTD Amount 10,1\n",
-      "ISTD Amount 11,1\n",
-      "ISTD Amount 12,1\n",
-      "ISTD Amount 13,1\n",
-      "ISTD Amount 14,1\n",
-      "ISTD Amount 15,1\n",
-      "ISTD Amount 16,1\n",
-      "ISTD Amount 17,1\n",
-      "ISTD Amount 18,1\n",
-      "ISTD Amount 19,1\n",
-      "ISTD Amount 20,1\n",
-      "ISTD Amount 21,1\n",
-      "ISTD Amount 22,1\n",
-      "ISTD Amount 23,1\n",
-      "ISTD Amount 24,1\n",
-      "ISTD Amount 25,1\n",
-      "ISTD Amount 26,1\n",
-      "ISTD Amount 27,1\n",
-      "ISTD Amount 28,1\n",
-      "ISTD Amount 29,1\n",
-      "ISTD Amount 30,1\n",
-      "ISTD Amount 31,1\n",
-      "ISTD Amount 32,1\n",
-      "Sample Amount,1\n",
-      "Dilution Factor,1\n",
-      "Vial#,1\n",
-      "Injection Volume,20\n",
-      "\n",
-      "[Original Files]\n",
-      "Data File,C:\\LabSolutions\\Data\\aldolaze\\Martina\\aldolna adicija\\batch_21022012\\EtAc\\0.lcd\n",
-      "Method File,C:\\LabSolutions\\Data\\aldolaze\\metoda3_2eluenta.lcm\n",
-      "Batch File,C:\\LabSolutions\\Data\\aldolaze\\Martina\\baždarci\\aldol-aldehid-01022012\\lista.lcb\n",
-      "Report Format File,C:\\LabSolutions\\LCsolution\\System\\Default.lcr\n",
-      "Tuning File,\n",
-      "\n",
-      "[File Description]\n",
-      "\n",
-      "\n",
-      "[Configuration]\n",
-      "# of Detectors,2\n",
-      "Detector ID,Detector A,AD2\n",
-      "Detector Name,Detector A,AD2\n",
-      "# of Channels,1,1\n",
-      "\n",
-      "[Peak Table(Detector A-Ch1)]\n",
-      "# of Peaks,14\n",
-      "Peak#,R.Time,I.Time,F.Time,Area,Height,A/H,Conc.,Mark,ID#,Name,k',Plate #,Plate Ht.,Tailing,Resolution,Sep.Factor,Conc. %,Norm Conc.\n",
-      "1,0.143,0.017,0.342,1278,107,11.9230,0.0000,   ,,,0.000,4,41558.735,1.160,0.000,0.000,0.0000,0.0000\n",
-      "2,2.677,2.600,2.842,7633,868,8.7930,0.0000,   ,,,17.675,2267,66.156,1.540,9.621,0.000,0.0000,0.0000\n",
-      "3,3.113,2.867,3.492,74069,3235,22.8950,0.0000,   ,,,20.715,284,528.740,0.000,0.904,1.172,0.0000,0.0000\n",
-      "4,3.674,3.492,4.225,62448,1896,32.9390,0.0000, V ,,,24.632,195,767.696,0.000,0.627,1.189,0.0000,0.0000\n",
-      "5,4.541,4.225,4.858,61821,2075,29.7890,0.0000, V ,,,30.681,11,13168.368,0.000,0.270,1.246,0.0000,0.0000\n",
-      "6,5.264,4.858,6.025,591150,23289,25.3830,0.0000, V ,,,35.719,1559,96.223,0.000,0.244,1.164,0.0000,0.0000\n",
-      "7,6.234,6.025,6.417,69898,3040,22.9950,0.0000, V ,,,42.488,8,18539.786,0.000,0.209,1.189,0.0000,0.0000\n",
-      "8,6.570,6.417,6.708,51229,2962,17.2940,0.0000, V ,,,44.832,6,27270.488,0.000,0.034,1.055,0.0000,0.0000\n",
-      "9,7.099,6.708,7.442,271461,9085,29.8790,0.0000, V ,,,48.524,1106,135.634,0.000,0.088,1.082,0.0000,0.0000\n",
-      "10,8.063,7.442,8.950,2838883,74297,38.2100,0.0000, V ,1,RT8.063,55.243,1156,129.804,0.000,1.069,1.138,0.0000,0.0000\n",
-      "11,9.083,8.950,10.367,458569,7811,58.7060,0.0000, V ,,,62.362,26,5780.190,0.000,0.253,1.129,0.0000,0.0000\n",
-      "12,10.392,10.367,11.067,150804,3848,39.1900,0.0000, V ,,,71.492,1,157400.235,0.000,0.053,1.146,0.0000,0.0000\n",
-      "13,11.391,11.067,12.442,273652,3881,70.5040,0.0000, V ,,,78.463,96,1566.775,0.000,0.042,1.098,0.0000,0.0000\n",
-      "14,12.567,12.442,14.967,184099,2616,70.3870,0.0000, V ,,,86.664,13,11724.488,0.000,0.126,1.105,0.0000,0.0000\n",
-      "\n",
-      "[Peak Table(AD2)]\n",
-      "# of Peaks,0\n",
-      "\n",
-      "[Peak Table(PDA-Ch1)]\n",
-      "# of Peaks,0\n",
-      "\n",
-      "[Compound Results(Detector A)]\n",
-      "# of IDs,1\n",
-      "ID#,Name,R.Time,Area,Height,Conc.,Curve,3rd,2nd,1st,Constant,Conc. %,Norm Conc.\n",
-      "1,RT8.063,8.063,2838883,74297,0.0000,Linear,0.0,0.0,0.0,0.0,0.0000,0.0000\n",
-      "\n",
-      "[Compound Results(AD2)]\n",
-      "# of IDs,0\n",
-      "\n",
-      "[Compound Results(PDA)]\n",
-      "# of IDs,0\n",
-      "\n",
-      "[Group Results(Detector A)]\n",
-      "# of Groups,0\n",
-      "\n",
-      "[Group Results(AD2)]\n",
-      "# of Groups,0\n",
-      "\n",
-      "[Group Results(PDA)]\n",
-      "# of Groups,0\n",
-      "\n",
-      "[LC Chromatogram(Detector A-Ch1)]\n",
-      "Interval(msec),500\n",
-      "# of Points,1801\n",
-      "Start Time(min),0.000\n",
-      "End Time(min),15.000\n",
-      "Intensity Units,mV\n",
-      "Intensity Multiplier,0.001\n",
-      "Wavelength(nm),215\n",
-      "R.Time (min),Intensity\n",
-      "0.00000,-132\n",
-      "0.00833,-132\n",
-      "0.01667,-52\n",
-      "0.02500,3\n",
-      "0.03333,8\n",
-      "0.04167,13\n",
-      "0.05000,18\n",
-      "0.05833,22\n",
-      "0.06667,26\n",
-      "0.07500,28\n",
-      "0.08333,29\n",
-      "0.09167,31\n",
-      "0.10000,30\n",
-      "0.10833,31\n",
-      "0.11667,32\n",
-      "0.12500,33\n",
-      "0.13333,34\n",
-      "0.14167,35\n",
-      "0.15000,35\n",
-      "0.15833,34\n",
-      "0.16667,32\n",
-      "0.17500,29\n",
-      "0.18333,24\n",
-      "0.19167,18\n",
-      "0.20000,12\n",
-      "0.20833,3\n",
-      "0.21667,-7\n",
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-      "0.25000,-41\n",
-      "0.25833,-50\n",
-      "0.26667,-58\n",
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-      "0.28333,-74\n",
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-      "0.30000,-86\n",
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-      "0.31667,-97\n",
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-      "0.33333,-104\n",
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-      "0.35000,-103\n",
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-      "0.75000,-180\n",
-      "0.75833,-181\n",
-      "0.76667,-179\n",
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-      "0.78333,-174\n",
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-      "0.80000,-174\n",
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-      "1.01667,-135\n",
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-      "1.05000,-131\n",
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-      "1.55000,11244\n",
-      "1.55833,18268\n",
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-      "1.60000,85618\n",
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-      "1.63333,138582\n",
-      "1.64167,149690\n",
-      "1.65000,158331\n",
-      "1.65833,163888\n",
-      "1.66667,166475\n",
-      "1.67500,166411\n",
-      "1.68333,163976\n",
-      "1.69167,159306\n",
-      "1.70000,152273\n",
-      "1.70833,142699\n",
-      "1.71667,130690\n",
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-      "1.73333,101229\n",
-      "1.74167,84896\n",
-      "1.75000,67749\n",
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-      "2.25000,282147\n",
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-      "2.35000,510555\n",
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-      "2.49167,4188\n",
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-      "2.54167,842\n",
-      "2.55000,575\n",
-      "2.55833,378\n",
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-      "2.57500,144\n",
-      "2.58333,93\n",
-      "2.59167,72\n",
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-      "2.69167,352\n",
-      "2.70000,322\n",
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-      "2.98333,-158\n",
-      "2.99167,16\n",
-      "3.00000,186\n",
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-      "3.20000,1020\n",
-      "3.20833,963\n",
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-      "12.69167,923\n",
-      "12.70000,903\n",
-      "12.70833,886\n",
-      "12.71667,869\n",
-      "12.72500,852\n",
-      "12.73333,839\n",
-      "12.74167,825\n",
-      "12.75000,815\n",
-      "12.75833,806\n",
-      "12.76667,796\n",
-      "12.77500,787\n",
-      "12.78333,777\n",
-      "12.79167,768\n",
-      "12.80000,761\n",
-      "12.80833,753\n",
-      "12.81667,745\n",
-      "12.82500,738\n",
-      "12.83333,733\n",
-      "12.84167,728\n",
-      "12.85000,724\n",
-      "12.85833,720\n",
-      "12.86667,716\n",
-      "12.87500,709\n",
-      "12.88333,702\n",
-      "12.89167,692\n",
-      "12.90000,681\n",
-      "12.90833,669\n",
-      "12.91667,655\n",
-      "12.92500,643\n",
-      "12.93333,633\n",
-      "12.94167,621\n",
-      "12.95000,610\n",
-      "12.95833,601\n",
-      "12.96667,591\n",
-      "12.97500,583\n",
-      "12.98333,573\n",
-      "12.99167,559\n",
-      "13.00000,547\n",
-      "13.00833,536\n",
-      "13.01667,523\n",
-      "13.02500,509\n",
-      "13.03333,494\n",
-      "13.04167,480\n",
-      "13.05000,469\n",
-      "13.05833,461\n",
-      "13.06667,455\n",
-      "13.07500,448\n",
-      "13.08333,440\n",
-      "13.09167,431\n",
-      "13.10000,420\n",
-      "13.10833,410\n",
-      "13.11667,399\n",
-      "13.12500,389\n",
-      "13.13333,376\n",
-      "13.14167,362\n",
-      "13.15000,348\n",
-      "13.15833,333\n",
-      "13.16667,320\n",
-      "13.17500,307\n",
-      "13.18333,294\n",
-      "13.19167,282\n",
-      "13.20000,271\n",
-      "13.20833,260\n",
-      "13.21667,246\n",
-      "13.22500,229\n",
-      "13.23333,211\n",
-      "13.24167,192\n",
-      "13.25000,174\n",
-      "13.25833,158\n",
-      "13.26667,143\n",
-      "13.27500,128\n",
-      "13.28333,113\n",
-      "13.29167,100\n",
-      "13.30000,88\n",
-      "13.30833,79\n",
-      "13.31667,69\n",
-      "13.32500,59\n",
-      "13.33333,49\n",
-      "13.34167,39\n",
-      "13.35000,28\n",
-      "13.35833,18\n",
-      "13.36667,9\n",
-      "13.37500,-1\n",
-      "13.38333,-6\n",
-      "13.39167,-10\n",
-      "13.40000,-14\n",
-      "13.40833,-16\n",
-      "13.41667,-17\n",
-      "13.42500,-19\n",
-      "13.43333,-20\n",
-      "13.44167,-18\n",
-      "13.45000,-20\n",
-      "13.45833,-26\n",
-      "13.46667,-32\n",
-      "13.47500,-38\n",
-      "13.48333,-44\n",
-      "13.49167,-50\n",
-      "13.50000,-58\n",
-      "13.50833,-67\n",
-      "13.51667,-78\n",
-      "13.52500,-91\n",
-      "13.53333,-104\n",
-      "13.54167,-119\n",
-      "13.55000,-135\n",
-      "13.55833,-152\n",
-      "13.56667,-171\n",
-      "13.57500,-192\n",
-      "13.58333,-213\n",
-      "13.59167,-234\n",
-      "13.60000,-255\n",
-      "13.60833,-272\n",
-      "13.61667,-290\n",
-      "13.62500,-307\n",
-      "13.63333,-325\n",
-      "13.64167,-342\n",
-      "13.65000,-359\n",
-      "13.65833,-375\n",
-      "13.66667,-388\n",
-      "13.67500,-401\n",
-      "13.68333,-413\n",
-      "13.69167,-426\n",
-      "13.70000,-438\n",
-      "13.70833,-447\n",
-      "13.71667,-453\n",
-      "13.72500,-459\n",
-      "13.73333,-465\n",
-      "13.74167,-473\n",
-      "13.75000,-482\n",
-      "13.75833,-490\n",
-      "13.76667,-497\n",
-      "13.77500,-505\n",
-      "13.78333,-511\n",
-      "13.79167,-518\n",
-      "13.80000,-522\n",
-      "13.80833,-530\n",
-      "13.81667,-536\n",
-      "13.82500,-540\n",
-      "13.83333,-543\n",
-      "13.84167,-547\n",
-      "13.85000,-552\n",
-      "13.85833,-557\n",
-      "13.86667,-563\n",
-      "13.87500,-567\n",
-      "13.88333,-575\n",
-      "13.89167,-585\n",
-      "13.90000,-596\n",
-      "13.90833,-606\n",
-      "13.91667,-614\n",
-      "13.92500,-620\n",
-      "13.93333,-626\n",
-      "13.94167,-631\n",
-      "13.95000,-634\n",
-      "13.95833,-641\n",
-      "13.96667,-648\n",
-      "13.97500,-655\n",
-      "13.98333,-664\n",
-      "13.99167,-673\n",
-      "14.00000,-684\n",
-      "14.00833,-693\n",
-      "14.01667,-700\n",
-      "14.02500,-710\n",
-      "14.03333,-719\n",
-      "14.04167,-726\n",
-      "14.05000,-730\n",
-      "14.05833,-737\n",
-      "14.06667,-743\n",
-      "14.07500,-748\n",
-      "14.08333,-754\n",
-      "14.09167,-759\n",
-      "14.10000,-766\n",
-      "14.10833,-772\n",
-      "14.11667,-780\n",
-      "14.12500,-786\n",
-      "14.13333,-791\n",
-      "14.14167,-796\n",
-      "14.15000,-797\n",
-      "14.15833,-799\n",
-      "14.16667,-800\n",
-      "14.17500,-804\n",
-      "14.18333,-809\n",
-      "14.19167,-815\n",
-      "14.20000,-820\n",
-      "14.20833,-825\n",
-      "14.21667,-831\n",
-      "14.22500,-841\n",
-      "14.23333,-851\n",
-      "14.24167,-857\n",
-      "14.25000,-862\n",
-      "14.25833,-866\n",
-      "14.26667,-868\n",
-      "14.27500,-873\n",
-      "14.28333,-878\n",
-      "14.29167,-881\n",
-      "14.30000,-887\n",
-      "14.30833,-894\n",
-      "14.31667,-898\n",
-      "14.32500,-906\n",
-      "14.33333,-916\n",
-      "14.34167,-923\n",
-      "14.35000,-929\n",
-      "14.35833,-934\n",
-      "14.36667,-940\n",
-      "14.37500,-945\n",
-      "14.38333,-950\n",
-      "14.39167,-951\n",
-      "14.40000,-955\n",
-      "14.40833,-961\n",
-      "14.41667,-969\n",
-      "14.42500,-975\n",
-      "14.43333,-980\n",
-      "14.44167,-985\n",
-      "14.45000,-993\n",
-      "14.45833,-1003\n",
-      "14.46667,-1010\n",
-      "14.47500,-1013\n",
-      "14.48333,-1017\n",
-      "14.49167,-1020\n",
-      "14.50000,-1022\n",
-      "14.50833,-1027\n",
-      "14.51667,-1035\n",
-      "14.52500,-1045\n",
-      "14.53333,-1054\n",
-      "14.54167,-1064\n",
-      "14.55000,-1074\n",
-      "14.55833,-1085\n",
-      "14.56667,-1095\n",
-      "14.57500,-1102\n",
-      "14.58333,-1108\n",
-      "14.59167,-1112\n",
-      "14.60000,-1116\n",
-      "14.60833,-1122\n",
-      "14.61667,-1126\n",
-      "14.62500,-1129\n",
-      "14.63333,-1132\n",
-      "14.64167,-1134\n",
-      "14.65000,-1136\n",
-      "14.65833,-1138\n",
-      "14.66667,-1139\n",
-      "14.67500,-1140\n",
-      "14.68333,-1142\n",
-      "14.69167,-1145\n",
-      "14.70000,-1148\n",
-      "14.70833,-1150\n",
-      "14.71667,-1153\n",
-      "14.72500,-1155\n",
-      "14.73333,-1160\n",
-      "14.74167,-1166\n",
-      "14.75000,-1173\n",
-      "14.75833,-1181\n",
-      "14.76667,-1189\n",
-      "14.77500,-1198\n",
-      "14.78333,-1210\n",
-      "14.79167,-1220\n",
-      "14.80000,-1225\n",
-      "14.80833,-1232\n",
-      "14.81667,-1242\n",
-      "14.82500,-1253\n",
-      "14.83333,-1265\n",
-      "14.84167,-1277\n",
-      "14.85000,-1287\n",
-      "14.85833,-1297\n",
-      "14.86667,-1307\n",
-      "14.87500,-1318\n",
-      "14.88333,-1332\n",
-      "14.89167,-1344\n",
-      "14.90000,-1355\n",
-      "14.90833,-1367\n",
-      "14.91667,-1379\n",
-      "14.92500,-1387\n",
-      "14.93333,-1394\n",
-      "14.94167,-1402\n",
-      "14.95000,-1409\n",
-      "14.95833,-1414\n",
-      "14.96667,-1420\n",
-      "14.97500,-1425\n",
-      "14.98333,-1430\n",
-      "14.99167,-1436\n",
-      "15.00000,-1440\n",
-      "\n",
-      "[LC Status Trace(Pump A Pressure)]\n",
-      "Interval(msec),1000\n",
-      "# of Points,900\n",
-      "Start Time(min),0.000\n",
-      "End Time(min),14.983\n",
-      "Intensity Units,kgf/cm2\n",
-      "Intensity Multiplier,1\n",
-      "R.Time (min),Intensity\n",
-      "0.00000,213.9\n",
-      "0.01667,213.9\n",
-      "0.03333,213.9\n",
-      "0.05000,214.7\n",
-      "0.06667,216.3\n",
-      "0.08333,218.7\n",
-      "0.10000,221.3\n",
-      "0.11667,224.8\n",
-      "0.13333,225.2\n",
-      "0.15000,226.0\n",
-      "0.16667,224.2\n",
-      "0.18333,223.7\n",
-      "0.20000,223.2\n",
-      "0.21667,223.4\n",
-      "0.23333,223.3\n",
-      "0.25000,222.5\n",
-      "0.26667,220.2\n",
-      "0.28333,220.9\n",
-      "0.30000,220.9\n",
-      "0.31667,221.3\n",
-      "0.33333,222.0\n",
-      "0.35000,222.1\n",
-      "0.36667,221.5\n",
-      "0.38333,219.6\n",
-      "0.40000,220.6\n",
-      "0.41667,220.4\n",
-      "0.43333,221.2\n",
-      "0.45000,221.7\n",
-      "0.46667,221.2\n",
-      "0.48333,219.3\n",
-      "0.50000,220.2\n",
-      "0.51667,220.7\n",
-      "0.53333,220.8\n",
-      "0.55000,221.3\n",
-      "0.56667,221.6\n",
-      "0.58333,218.7\n",
-      "0.60000,219.1\n",
-      "0.61667,220.2\n",
-      "0.63333,220.7\n",
-      "0.65000,220.8\n",
-      "0.66667,221.3\n",
-      "0.68333,221.3\n",
-      "0.70000,218.7\n",
-      "0.71667,219.6\n",
-      "0.73333,219.9\n",
-      "0.75000,220.8\n",
-      "0.76667,220.9\n",
-      "0.78333,221.2\n",
-      "0.80000,219.5\n",
-      "0.81667,219.3\n",
-      "0.83333,219.4\n",
-      "0.85000,220.3\n",
-      "0.86667,220.4\n",
-      "0.88333,220.7\n",
-      "0.90000,221.2\n",
-      "0.91667,218.9\n",
-      "0.93333,219.1\n",
-      "0.95000,219.9\n",
-      "0.96667,220.8\n",
-      "0.98333,220.6\n",
-      "1.00000,220.7\n",
-      "1.01667,218.7\n",
-      "1.03333,219.0\n",
-      "1.05000,219.0\n",
-      "1.06667,220.2\n",
-      "1.08333,220.9\n",
-      "1.10000,220.4\n",
-      "1.11667,220.6\n",
-      "1.13333,218.7\n",
-      "1.15000,218.7\n",
-      "1.16667,219.5\n",
-      "1.18333,220.2\n",
-      "1.20000,220.8\n",
-      "1.21667,220.3\n",
-      "1.23333,220.6\n",
-      "1.25000,218.7\n",
-      "1.26667,219.4\n",
-      "1.28333,219.9\n",
-      "1.30000,220.6\n",
-      "1.31667,220.7\n",
-      "1.33333,220.2\n",
-      "1.35000,218.5\n",
-      "1.36667,219.3\n",
-      "1.38333,218.7\n",
-      "1.40000,219.6\n",
-      "1.41667,220.3\n",
-      "1.43333,220.6\n",
-      "1.45000,219.8\n",
-      "1.46667,218.6\n",
-      "1.48333,219.0\n",
-      "1.50000,219.4\n",
-      "1.51667,220.0\n",
-      "1.53333,220.4\n",
-      "1.55000,219.3\n",
-      "1.56667,217.8\n",
-      "1.58333,218.9\n",
-      "1.60000,219.0\n",
-      "1.61667,219.4\n",
-      "1.63333,220.0\n",
-      "1.65000,220.7\n",
-      "1.66667,218.7\n",
-      "1.68333,219.0\n",
-      "1.70000,219.3\n",
-      "1.71667,219.5\n",
-      "1.73333,220.2\n",
-      "1.75000,221.1\n",
-      "1.76667,221.6\n",
-      "1.78333,218.9\n",
-      "1.80000,219.8\n",
-      "1.81667,220.7\n",
-      "1.83333,220.9\n",
-      "1.85000,221.3\n",
-      "1.86667,221.9\n",
-      "1.88333,222.1\n",
-      "1.90000,219.3\n",
-      "1.91667,220.3\n",
-      "1.93333,221.2\n",
-      "1.95000,221.1\n",
-      "1.96667,221.5\n",
-      "1.98333,221.7\n",
-      "2.00000,219.5\n",
-      "2.01667,219.8\n",
-      "2.03333,220.6\n",
-      "2.05000,220.8\n",
-      "2.06667,220.8\n",
-      "2.08333,221.3\n",
-      "2.10000,221.3\n",
-      "2.11667,219.1\n",
-      "2.13333,219.4\n",
-      "2.15000,219.4\n",
-      "2.16667,220.7\n",
-      "2.18333,220.4\n",
-      "2.20000,220.8\n",
-      "2.21667,221.1\n",
-      "2.23333,218.9\n",
-      "2.25000,219.3\n",
-      "2.26667,219.9\n",
-      "2.28333,220.8\n",
-      "2.30000,220.4\n",
-      "2.31667,220.6\n",
-      "2.33333,218.7\n",
-      "2.35000,218.9\n",
-      "2.36667,219.0\n",
-      "2.38333,220.3\n",
-      "2.40000,220.8\n",
-      "2.41667,220.3\n",
-      "2.43333,218.6\n",
-      "2.45000,218.6\n",
-      "2.46667,218.9\n",
-      "2.48333,220.2\n",
-      "2.50000,220.8\n",
-      "2.51667,220.2\n",
-      "2.53333,219.4\n",
-      "2.55000,219.3\n",
-      "2.56667,219.4\n",
-      "2.58333,219.4\n",
-      "2.60000,220.2\n",
-      "2.61667,220.8\n",
-      "2.63333,220.6\n",
-      "2.65000,218.2\n",
-      "2.66667,219.3\n",
-      "2.68333,219.4\n",
-      "2.70000,219.4\n",
-      "2.71667,220.4\n",
-      "2.73333,220.7\n",
-      "2.75000,220.2\n",
-      "2.76667,218.3\n",
-      "2.78333,219.1\n",
-      "2.80000,219.6\n",
-      "2.81667,219.9\n",
-      "2.83333,220.4\n",
-      "2.85000,220.8\n",
-      "2.86667,218.1\n",
-      "2.88333,218.2\n",
-      "2.90000,219.3\n",
-      "2.91667,219.5\n",
-      "2.93333,220.4\n",
-      "2.95000,220.7\n",
-      "2.96667,220.8\n",
-      "2.98333,218.2\n",
-      "3.00000,219.1\n",
-      "3.01667,219.9\n",
-      "3.03333,220.0\n",
-      "3.05000,220.3\n",
-      "3.06667,220.7\n",
-      "3.08333,218.0\n",
-      "3.10000,218.2\n",
-      "3.11667,218.9\n",
-      "3.13333,219.9\n",
-      "3.15000,219.8\n",
-      "3.16667,220.6\n",
-      "3.18333,220.7\n",
-      "3.20000,220.6\n",
-      "3.21667,218.1\n",
-      "3.23333,219.3\n",
-      "3.25000,220.2\n",
-      "3.26667,219.9\n",
-      "3.28333,220.7\n",
-      "3.30000,220.3\n",
-      "3.31667,218.3\n",
-      "3.33333,218.7\n",
-      "3.35000,219.6\n",
-      "3.36667,220.3\n",
-      "3.38333,220.0\n",
-      "3.40000,220.6\n",
-      "3.41667,218.3\n",
-      "3.43333,218.7\n",
-      "3.45000,219.1\n",
-      "3.46667,220.0\n",
-      "3.48333,220.2\n",
-      "3.50000,220.3\n",
-      "3.51667,218.6\n",
-      "3.53333,219.0\n",
-      "3.55000,218.6\n",
-      "3.56667,219.6\n",
-      "3.58333,220.2\n",
-      "3.60000,220.2\n",
-      "3.61667,220.4\n",
-      "3.63333,218.3\n",
-      "3.65000,219.1\n",
-      "3.66667,219.1\n",
-      "3.68333,219.6\n",
-      "3.70000,220.6\n",
-      "3.71667,220.0\n",
-      "3.73333,220.2\n",
-      "3.75000,218.3\n",
-      "3.76667,218.6\n",
-      "3.78333,219.0\n",
-      "3.80000,220.0\n",
-      "3.81667,220.6\n",
-      "3.83333,219.9\n",
-      "3.85000,218.0\n",
-      "3.86667,219.1\n",
-      "3.88333,219.1\n",
-      "3.90000,219.5\n",
-      "3.91667,220.4\n",
-      "3.93333,220.3\n",
-      "3.95000,219.9\n",
-      "3.96667,218.3\n",
-      "3.98333,219.3\n",
-      "4.00000,219.1\n",
-      "4.01667,220.0\n",
-      "4.03333,220.7\n",
-      "4.05000,220.6\n",
-      "4.06667,219.9\n",
-      "4.08333,219.0\n",
-      "4.10000,219.0\n",
-      "4.11667,219.5\n",
-      "4.13333,219.9\n",
-      "4.15000,220.4\n",
-      "4.16667,219.8\n",
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-      "12.61667,219.0\n",
-      "12.63333,219.8\n",
-      "12.65000,219.9\n",
-      "12.66667,217.2\n",
-      "12.68333,218.0\n",
-      "12.70000,218.6\n",
-      "12.71667,219.0\n",
-      "12.73333,219.3\n",
-      "12.75000,219.3\n",
-      "12.76667,217.1\n",
-      "12.78333,217.2\n",
-      "12.80000,217.2\n",
-      "12.81667,218.7\n",
-      "12.83333,218.7\n",
-      "12.85000,219.4\n",
-      "12.86667,219.4\n",
-      "12.88333,217.2\n",
-      "12.90000,217.8\n",
-      "12.91667,218.1\n",
-      "12.93333,219.0\n",
-      "12.95000,218.7\n",
-      "12.96667,219.4\n",
-      "12.98333,219.8\n",
-      "13.00000,217.1\n",
-      "13.01667,217.6\n",
-      "13.03333,218.7\n",
-      "13.05000,219.4\n",
-      "13.06667,219.0\n",
-      "13.08333,219.0\n",
-      "13.10000,217.4\n",
-      "13.11667,217.4\n",
-      "13.13333,217.8\n",
-      "13.15000,217.8\n",
-      "13.16667,217.8\n",
-      "13.18333,219.1\n",
-      "13.20000,219.1\n",
-      "13.21667,217.7\n",
-      "13.23333,217.8\n",
-      "13.25000,219.1\n",
-      "13.26667,219.4\n",
-      "13.28333,219.0\n",
-      "13.30000,219.3\n",
-      "13.31667,217.4\n",
-      "13.33333,217.8\n",
-      "13.35000,218.5\n",
-      "13.36667,219.3\n",
-      "13.38333,219.3\n",
-      "13.40000,219.3\n",
-      "13.41667,219.3\n",
-      "13.43333,219.3\n",
-      "13.45000,218.2\n",
-      "13.46667,218.2\n",
-      "13.48333,218.3\n",
-      "13.50000,219.5\n",
-      "13.51667,219.5\n",
-      "13.53333,217.6\n",
-      "13.55000,218.1\n",
-      "13.56667,218.1\n",
-      "13.58333,218.3\n",
-      "13.60000,219.5\n",
-      "13.61667,219.8\n",
-      "13.63333,219.3\n",
-      "13.65000,217.4\n",
-      "13.66667,218.2\n",
-      "13.68333,218.3\n",
-      "13.70000,218.3\n",
-      "13.71667,218.3\n",
-      "13.73333,219.9\n",
-      "13.75000,219.1\n",
-      "13.76667,218.1\n",
-      "13.78333,218.1\n",
-      "13.80000,218.1\n",
-      "13.81667,218.9\n",
-      "13.83333,218.9\n",
-      "13.85000,219.6\n",
-      "13.86667,219.6\n",
-      "13.88333,218.1\n",
-      "13.90000,218.7\n",
-      "13.91667,218.5\n",
-      "13.93333,219.1\n",
-      "13.95000,219.8\n",
-      "13.96667,219.6\n",
-      "13.98333,217.1\n",
-      "14.00000,218.0\n",
-      "14.01667,218.9\n",
-      "14.03333,218.9\n",
-      "14.05000,219.4\n",
-      "14.06667,219.4\n",
-      "14.08333,219.4\n",
-      "14.10000,217.1\n",
-      "14.11667,217.1\n",
-      "14.13333,219.0\n",
-      "14.15000,219.0\n",
-      "14.16667,219.6\n",
-      "14.18333,219.6\n",
-      "14.20000,217.6\n",
-      "14.21667,218.1\n",
-      "14.23333,219.0\n",
-      "14.25000,218.9\n",
-      "14.26667,219.3\n",
-      "14.28333,219.1\n",
-      "14.30000,217.3\n",
-      "14.31667,217.6\n",
-      "14.33333,218.7\n",
-      "14.35000,219.3\n",
-      "14.36667,219.3\n",
-      "14.38333,219.1\n",
-      "14.40000,219.1\n",
-      "14.41667,217.3\n",
-      "14.43333,217.6\n",
-      "14.45000,218.6\n",
-      "14.46667,218.6\n",
-      "14.48333,219.3\n",
-      "14.50000,219.3\n",
-      "14.51667,219.3\n",
-      "14.53333,218.1\n",
-      "14.55000,217.7\n",
-      "14.56667,219.3\n",
-      "14.58333,219.5\n",
-      "14.60000,219.6\n",
-      "14.61667,219.4\n",
-      "14.63333,217.3\n",
-      "14.65000,217.7\n",
-      "14.66667,218.2\n",
-      "14.68333,219.1\n",
-      "14.70000,219.5\n",
-      "14.71667,219.6\n",
-      "14.73333,217.1\n",
-      "14.75000,217.1\n",
-      "14.76667,218.1\n",
-      "14.78333,218.1\n",
-      "14.80000,218.1\n",
-      "14.81667,219.5\n",
-      "14.83333,219.5\n",
-      "14.85000,219.5\n",
-      "14.86667,218.0\n",
-      "14.88333,218.1\n",
-      "14.90000,218.3\n",
-      "14.91667,219.5\n",
-      "14.93333,219.6\n",
-      "14.95000,219.1\n",
-      "14.96667,218.1\n",
-      "14.98333,218.2\n",
-      "\n",
-      "[LC Status Trace(Pump B Pressure)]\n",
-      "Interval(msec),1000\n",
-      "# of Points,900\n",
-      "Start Time(min),0.000\n",
-      "End Time(min),14.983\n",
-      "Intensity Units,kgf/cm2\n",
-      "Intensity Multiplier,1\n",
-      "R.Time (min),Intensity\n",
-      "0.00000,229.8\n",
-      "0.01667,229.8\n",
-      "0.03333,230.7\n",
-      "0.05000,230.7\n",
-      "0.06667,232.1\n",
-      "0.08333,234.6\n",
-      "0.10000,237.5\n",
-      "0.11667,241.5\n",
-      "0.13333,242.1\n",
-      "0.15000,240.1\n",
-      "0.16667,240.4\n",
-      "0.18333,239.1\n",
-      "0.20000,239.1\n",
-      "0.21667,239.7\n",
-      "0.23333,239.5\n",
-      "0.25000,238.6\n",
-      "0.26667,236.3\n",
-      "0.28333,237.2\n",
-      "0.30000,237.2\n",
-      "0.31667,237.3\n",
-      "0.33333,238.4\n",
-      "0.35000,238.4\n",
-      "0.36667,235.4\n",
-      "0.38333,235.8\n",
-      "0.40000,236.7\n",
-      "0.41667,236.2\n",
-      "0.43333,237.2\n",
-      "0.45000,238.0\n",
-      "0.46667,238.0\n",
-      "0.48333,235.4\n",
-      "0.50000,236.2\n",
-      "0.51667,236.4\n",
-      "0.53333,236.6\n",
-      "0.55000,237.5\n",
-      "0.56667,237.7\n",
-      "0.58333,237.3\n",
-      "0.60000,235.3\n",
-      "0.61667,235.9\n",
-      "0.63333,236.7\n",
-      "0.65000,236.8\n",
-      "0.66667,237.1\n",
-      "0.68333,236.9\n",
-      "0.70000,234.7\n",
-      "0.71667,235.5\n",
-      "0.73333,236.3\n",
-      "0.75000,236.8\n",
-      "0.76667,236.9\n",
-      "0.78333,237.3\n",
-      "0.80000,236.2\n",
-      "0.81667,235.3\n",
-      "0.83333,235.4\n",
-      "0.85000,236.4\n",
-      "0.86667,236.4\n",
-      "0.88333,237.2\n",
-      "0.90000,237.5\n",
-      "0.91667,235.0\n",
-      "0.93333,235.3\n",
-      "0.95000,236.2\n",
-      "0.96667,236.7\n",
-      "0.98333,236.6\n",
-      "1.00000,236.9\n",
-      "1.01667,235.1\n",
-      "1.03333,235.1\n",
-      "1.05000,235.1\n",
-      "1.06667,236.3\n",
-      "1.08333,237.1\n",
-      "1.10000,236.6\n",
-      "1.11667,236.9\n",
-      "1.13333,234.9\n",
-      "1.15000,235.1\n",
-      "1.16667,235.6\n",
-      "1.18333,236.6\n",
-      "1.20000,236.9\n",
-      "1.21667,236.4\n",
-      "1.23333,236.7\n",
-      "1.25000,234.7\n",
-      "1.26667,235.4\n",
-      "1.28333,236.0\n",
-      "1.30000,236.0\n",
-      "1.31667,236.9\n",
-      "1.33333,236.3\n",
-      "1.35000,236.3\n",
-      "1.36667,235.4\n",
-      "1.38333,234.9\n",
-      "1.40000,235.8\n",
-      "1.41667,236.3\n",
-      "1.43333,236.7\n",
-      "1.45000,235.4\n",
-      "1.46667,233.9\n",
-      "1.48333,235.0\n",
-      "1.50000,235.0\n",
-      "1.51667,235.4\n",
-      "1.53333,236.6\n",
-      "1.55000,236.0\n",
-      "1.56667,233.8\n",
-      "1.58333,234.7\n",
-      "1.60000,235.1\n",
-      "1.61667,235.1\n",
-      "1.63333,235.9\n",
-      "1.65000,236.8\n",
-      "1.66667,236.8\n",
-      "1.68333,235.0\n",
-      "1.70000,235.4\n",
-      "1.71667,235.8\n",
-      "1.73333,236.2\n",
-      "1.75000,237.3\n",
-      "1.76667,237.7\n",
-      "1.78333,235.0\n",
-      "1.80000,236.0\n",
-      "1.81667,236.7\n",
-      "1.83333,237.1\n",
-      "1.85000,237.2\n",
-      "1.86667,238.1\n",
-      "1.88333,235.4\n",
-      "1.90000,235.3\n",
-      "1.91667,236.4\n",
-      "1.93333,236.8\n",
-      "1.95000,237.1\n",
-      "1.96667,237.7\n",
-      "1.98333,238.0\n",
-      "2.00000,235.6\n",
-      "2.01667,235.6\n",
-      "2.03333,236.7\n",
-      "2.05000,237.1\n",
-      "2.06667,236.8\n",
-      "2.08333,237.5\n",
-      "2.10000,237.6\n",
-      "2.11667,234.7\n",
-      "2.13333,235.5\n",
-      "2.15000,236.2\n",
-      "2.16667,236.9\n",
-      "2.18333,236.7\n",
-      "2.20000,236.7\n",
-      "2.21667,237.1\n",
-      "2.23333,234.9\n",
-      "2.25000,235.4\n",
-      "2.26667,235.9\n",
-      "2.28333,236.7\n",
-      "2.30000,236.7\n",
-      "2.31667,236.7\n",
-      "2.33333,234.7\n",
-      "2.35000,234.9\n",
-      "2.36667,235.6\n",
-      "2.38333,236.4\n",
-      "2.40000,236.8\n",
-      "2.41667,236.4\n",
-      "2.43333,235.6\n",
-      "2.45000,235.0\n",
-      "2.46667,235.0\n",
-      "2.48333,236.4\n",
-      "2.50000,236.8\n",
-      "2.51667,236.9\n",
-      "2.53333,236.6\n",
-      "2.55000,234.7\n",
-      "2.56667,235.4\n",
-      "2.58333,235.3\n",
-      "2.60000,236.2\n",
-      "2.61667,236.7\n",
-      "2.63333,236.0\n",
-      "2.65000,234.3\n",
-      "2.66667,234.6\n",
-      "2.68333,235.3\n",
-      "2.70000,235.4\n",
-      "2.71667,236.6\n",
-      "2.73333,236.8\n",
-      "2.75000,236.3\n",
-      "2.76667,234.3\n",
-      "2.78333,235.1\n",
-      "2.80000,235.5\n",
-      "2.81667,236.0\n",
-      "2.83333,236.4\n",
-      "2.85000,236.9\n",
-      "2.86667,234.1\n",
-      "2.88333,235.1\n",
-      "2.90000,235.4\n",
-      "2.91667,235.5\n",
-      "2.93333,236.2\n",
-      "2.95000,236.8\n",
-      "2.96667,236.9\n",
-      "2.98333,233.9\n",
-      "3.00000,235.3\n",
-      "3.01667,236.0\n",
-      "3.03333,236.0\n",
-      "3.05000,236.3\n",
-      "3.06667,236.9\n",
-      "3.08333,233.9\n",
-      "3.10000,234.3\n",
-      "3.11667,235.3\n",
-      "3.13333,236.2\n",
-      "3.15000,235.9\n",
-      "3.16667,236.3\n",
-      "3.18333,236.8\n",
-      "3.20000,236.7\n",
-      "3.21667,234.3\n",
-      "3.23333,235.3\n",
-      "3.25000,236.2\n",
-      "3.26667,236.0\n",
-      "3.28333,236.9\n",
-      "3.30000,236.9\n",
-      "3.31667,234.3\n",
-      "3.33333,234.6\n",
-      "3.35000,235.8\n",
-      "3.36667,236.3\n",
-      "3.38333,235.9\n",
-      "3.40000,236.7\n",
-      "3.41667,235.9\n",
-      "3.43333,234.7\n",
-      "3.45000,235.1\n",
-      "3.46667,235.6\n",
-      "3.48333,236.2\n",
-      "3.50000,236.3\n",
-      "3.51667,236.7\n",
-      "3.53333,234.5\n",
-      "3.55000,234.6\n",
-      "3.56667,235.6\n",
-      "3.58333,236.2\n",
-      "3.60000,235.9\n",
-      "3.61667,236.3\n",
-      "3.63333,235.0\n",
-      "3.65000,235.1\n",
-      "3.66667,235.3\n",
-      "3.68333,236.3\n",
-      "3.70000,236.7\n",
-      "3.71667,236.2\n",
-      "3.73333,236.2\n",
-      "3.75000,234.5\n",
-      "3.76667,234.9\n",
-      "3.78333,235.1\n",
-      "3.80000,236.0\n",
-      "3.81667,236.7\n",
-      "3.83333,236.2\n",
-      "3.85000,234.1\n",
-      "3.86667,235.1\n",
-      "3.88333,235.1\n",
-      "3.90000,235.4\n",
-      "3.91667,236.6\n",
-      "3.93333,236.7\n",
-      "3.95000,236.2\n",
-      "3.96667,234.6\n",
-      "3.98333,235.3\n",
-      "4.00000,235.3\n",
-      "4.01667,235.9\n",
-      "4.03333,236.7\n",
-      "4.05000,236.8\n",
-      "4.06667,233.8\n",
-      "4.08333,235.1\n",
-      "4.10000,235.3\n",
-      "4.11667,235.4\n",
-      "4.13333,236.6\n",
-      "4.15000,236.7\n",
-      "4.16667,235.6\n",
-      "4.18333,233.8\n",
-      "4.20000,234.5\n",
-      "4.21667,235.1\n",
-      "4.23333,235.6\n",
-      "4.25000,236.4\n",
-      "4.26667,236.6\n",
-      "4.28333,233.7\n",
-      "4.30000,233.7\n",
-      "4.31667,234.9\n",
-      "4.33333,235.8\n",
-      "4.35000,235.9\n",
-      "4.36667,236.6\n",
-      "4.38333,236.7\n",
-      "4.40000,233.8\n",
-      "4.41667,234.6\n",
-      "4.43333,235.3\n",
-      "4.45000,236.2\n",
-      "4.46667,235.8\n",
-      "4.48333,236.7\n",
-      "4.50000,234.6\n",
-      "4.51667,234.1\n",
-      "4.53333,234.6\n",
-      "4.55000,235.9\n",
-      "4.56667,236.0\n",
-      "4.58333,236.0\n",
-      "4.60000,236.6\n",
-      "4.61667,234.5\n",
-      "4.63333,234.5\n",
-      "4.65000,235.0\n",
-      "4.66667,236.3\n",
-      "4.68333,236.0\n",
-      "4.70000,236.2\n",
-      "4.71667,234.3\n",
-      "4.73333,234.3\n",
-      "4.75000,234.7\n",
-      "4.76667,235.8\n",
-      "4.78333,236.3\n",
-      "4.80000,236.0\n",
-      "4.81667,236.3\n",
-      "4.83333,234.2\n",
-      "4.85000,234.5\n",
-      "4.86667,235.0\n",
-      "4.88333,236.2\n",
-      "4.90000,236.6\n",
-      "4.91667,236.0\n",
-      "4.93333,236.3\n",
-      "4.95000,234.3\n",
-      "4.96667,234.6\n",
-      "4.98333,235.9\n",
-      "5.00000,236.2\n",
-      "5.01667,236.6\n",
-      "5.03333,236.0\n",
-      "5.05000,234.2\n",
-      "5.06667,235.0\n",
-      "5.08333,235.0\n",
-      "5.10000,235.8\n",
-      "5.11667,236.6\n",
-      "5.13333,236.2\n",
-      "5.15000,235.3\n",
-      "5.16667,234.6\n",
-      "5.18333,235.0\n",
-      "5.20000,235.1\n",
-      "5.21667,235.4\n",
-      "5.23333,236.4\n",
-      "5.25000,236.3\n",
-      "5.26667,234.2\n",
-      "5.28333,234.9\n",
-      "5.30000,234.9\n",
-      "5.31667,234.7\n",
-      "5.33333,235.9\n",
-      "5.35000,236.6\n",
-      "5.36667,233.8\n",
-      "5.38333,233.7\n",
-      "5.40000,235.0\n",
-      "5.41667,235.3\n",
-      "5.43333,235.5\n",
-      "5.45000,236.4\n",
-      "5.46667,236.6\n",
-      "5.48333,233.7\n",
-      "5.50000,234.3\n",
-      "5.51667,234.9\n",
-      "5.53333,235.6\n",
-      "5.55000,235.6\n",
-      "5.56667,236.6\n",
-      "5.58333,236.6\n",
-      "5.60000,233.7\n",
-      "5.61667,234.3\n",
-      "5.63333,235.5\n",
-      "5.65000,235.6\n",
-      "5.66667,236.0\n",
-      "5.68333,236.6\n",
-      "5.70000,234.2\n",
-      "5.71667,234.5\n",
-      "5.73333,234.9\n",
-      "5.75000,235.6\n",
-      "5.76667,235.8\n",
-      "5.78333,236.0\n",
-      "5.80000,236.4\n",
-      "5.81667,233.9\n",
-      "5.83333,234.2\n",
-      "5.85000,235.3\n",
-      "5.86667,236.2\n",
-      "5.88333,235.8\n",
-      "5.90000,236.2\n",
-      "5.91667,234.2\n",
-      "5.93333,234.5\n",
-      "5.95000,234.6\n",
-      "5.96667,235.6\n",
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-      "14.41667,233.4\n",
-      "14.43333,233.4\n",
-      "14.45000,234.6\n",
-      "14.46667,235.1\n",
-      "14.48333,235.1\n",
-      "14.50000,235.5\n",
-      "14.51667,234.1\n",
-      "14.53333,234.2\n",
-      "14.55000,233.9\n",
-      "14.56667,235.1\n",
-      "14.58333,235.5\n",
-      "14.60000,235.1\n",
-      "14.61667,233.4\n",
-      "14.63333,233.4\n",
-      "14.65000,233.4\n",
-      "14.66667,234.5\n",
-      "14.68333,235.1\n",
-      "14.70000,235.6\n",
-      "14.71667,235.3\n",
-      "14.73333,233.3\n",
-      "14.75000,234.1\n",
-      "14.76667,234.1\n",
-      "14.78333,234.5\n",
-      "14.80000,235.5\n",
-      "14.81667,235.4\n",
-      "14.83333,235.3\n",
-      "14.85000,233.6\n",
-      "14.86667,234.2\n",
-      "14.88333,234.5\n",
-      "14.90000,235.0\n",
-      "14.91667,235.6\n",
-      "14.93333,235.1\n",
-      "14.95000,232.9\n",
-      "14.96667,234.2\n",
-      "14.98333,233.9\n",
-      "\n",
-      "[LC Status Trace(Sample Cooler Temp.)]\n",
-      "Interval(msec),1000\n",
-      "# of Points,900\n",
-      "Start Time(min),0.000\n",
-      "End Time(min),14.983\n",
-      "Intensity Units,C\n",
-      "Intensity Multiplier,1\n",
-      "R.Time (min),Intensity\n",
-      "0.00000,20.27\n",
-      "0.01667,20.27\n",
-      "0.03333,20.27\n",
-      "0.05000,20.27\n",
-      "0.06667,20.29\n",
-      "0.08333,20.29\n",
-      "0.10000,20.29\n",
-      "0.11667,20.29\n",
-      "0.13333,20.29\n",
-      "0.15000,20.29\n",
-      "0.16667,20.29\n",
-      "0.18333,20.29\n",
-      "0.20000,20.28\n",
-      "0.21667,20.28\n",
-      "0.23333,20.28\n",
-      "0.25000,20.28\n",
-      "0.26667,20.28\n",
-      "0.28333,20.28\n",
-      "0.30000,20.28\n",
-      "0.31667,20.28\n",
-      "0.33333,20.28\n",
-      "0.35000,20.28\n",
-      "0.36667,20.28\n",
-      "0.38333,20.27\n",
-      "0.40000,20.27\n",
-      "0.41667,20.27\n",
-      "0.43333,20.27\n",
-      "0.45000,20.27\n",
-      "0.46667,20.27\n",
-      "0.48333,20.27\n",
-      "0.50000,20.27\n",
-      "0.51667,20.27\n",
-      "0.53333,20.27\n",
-      "0.55000,20.27\n",
-      "0.56667,20.27\n",
-      "0.58333,20.27\n",
-      "0.60000,20.27\n",
-      "0.61667,20.27\n",
-      "0.63333,20.27\n",
-      "0.65000,20.27\n",
-      "0.66667,20.27\n",
-      "0.68333,20.27\n",
-      "0.70000,20.27\n",
-      "0.71667,20.27\n",
-      "0.73333,20.27\n",
-      "0.75000,20.27\n",
-      "0.76667,20.27\n",
-      "0.78333,20.27\n",
-      "0.80000,20.27\n",
-      "0.81667,20.27\n",
-      "0.83333,20.27\n",
-      "0.85000,20.27\n",
-      "0.86667,20.31\n",
-      "0.88333,20.31\n",
-      "0.90000,20.31\n",
-      "0.91667,20.31\n",
-      "0.93333,20.31\n",
-      "0.95000,20.31\n",
-      "0.96667,20.31\n",
-      "0.98333,20.31\n",
-      "1.00000,20.31\n",
-      "1.01667,20.31\n",
-      "1.03333,20.29\n",
-      "1.05000,20.29\n",
-      "1.06667,20.29\n",
-      "1.08333,20.29\n",
-      "1.10000,20.29\n",
-      "1.11667,20.29\n",
-      "1.13333,20.29\n",
-      "1.15000,20.29\n",
-      "1.16667,20.29\n",
-      "1.18333,20.29\n",
-      "1.20000,20.31\n",
-      "1.21667,20.31\n",
-      "1.23333,20.31\n",
-      "1.25000,20.31\n",
-      "1.26667,20.31\n",
-      "1.28333,20.31\n",
-      "1.30000,20.31\n",
-      "1.31667,20.31\n",
-      "1.33333,20.31\n",
-      "1.35000,20.31\n",
-      "1.36667,20.31\n",
-      "1.38333,20.29\n",
-      "1.40000,20.29\n",
-      "1.41667,20.29\n",
-      "1.43333,20.29\n",
-      "1.45000,20.29\n",
-      "1.46667,20.29\n",
-      "1.48333,20.29\n",
-      "1.50000,20.29\n",
-      "1.51667,20.29\n",
-      "1.53333,20.29\n",
-      "1.55000,20.29\n",
-      "1.56667,20.29\n",
-      "1.58333,20.29\n",
-      "1.60000,20.29\n",
-      "1.61667,20.29\n",
-      "1.63333,20.29\n",
-      "1.65000,20.29\n",
-      "1.66667,20.29\n",
-      "1.68333,20.29\n",
-      "1.70000,20.32\n",
-      "1.71667,20.32\n",
-      "1.73333,20.32\n",
-      "1.75000,20.32\n",
-      "1.76667,20.32\n",
-      "1.78333,20.32\n",
-      "1.80000,20.32\n",
-      "1.81667,20.32\n",
-      "1.83333,20.32\n",
-      "1.85000,20.32\n",
-      "1.86667,20.29\n",
-      "1.88333,20.29\n",
-      "1.90000,20.29\n",
-      "1.91667,20.29\n",
-      "1.93333,20.29\n",
-      "1.95000,20.29\n",
-      "1.96667,20.29\n",
-      "1.98333,20.29\n",
-      "2.00000,20.29\n",
-      "2.01667,20.29\n",
-      "2.03333,20.32\n",
-      "2.05000,20.32\n",
-      "2.06667,20.32\n",
-      "2.08333,20.32\n",
-      "2.10000,20.32\n",
-      "2.11667,20.32\n",
-      "2.13333,20.32\n",
-      "2.15000,20.32\n",
-      "2.16667,20.32\n",
-      "2.18333,20.32\n",
-      "2.20000,20.32\n",
-      "2.21667,20.32\n",
-      "2.23333,20.32\n",
-      "2.25000,20.32\n",
-      "2.26667,20.32\n",
-      "2.28333,20.32\n",
-      "2.30000,20.32\n",
-      "2.31667,20.32\n",
-      "2.33333,20.32\n",
-      "2.35000,20.32\n",
-      "2.36667,20.32\n",
-      "2.38333,20.32\n",
-      "2.40000,20.32\n",
-      "2.41667,20.32\n",
-      "2.43333,20.32\n",
-      "2.45000,20.32\n",
-      "2.46667,20.32\n",
-      "2.48333,20.32\n",
-      "2.50000,20.32\n",
-      "2.51667,20.32\n",
-      "2.53333,20.29\n",
-      "2.55000,20.29\n",
-      "2.56667,20.29\n",
-      "2.58333,20.29\n",
-      "2.60000,20.29\n",
-      "2.61667,20.29\n",
-      "2.63333,20.29\n",
-      "2.65000,20.29\n",
-      "2.66667,20.29\n",
-      "2.68333,20.29\n",
-      "2.70000,20.35\n",
-      "2.71667,20.35\n",
-      "2.73333,20.35\n",
-      "2.75000,20.35\n",
-      "2.76667,20.35\n",
-      "2.78333,20.35\n",
-      "2.80000,20.35\n",
-      "2.81667,20.35\n",
-      "2.83333,20.35\n",
-      "2.85000,20.35\n",
-      "2.86667,20.36\n",
-      "2.88333,20.36\n",
-      "2.90000,20.36\n",
-      "2.91667,20.36\n",
-      "2.93333,20.36\n",
-      "2.95000,20.36\n",
-      "2.96667,20.36\n",
-      "2.98333,20.36\n",
-      "3.00000,20.36\n",
-      "3.01667,20.36\n",
-      "3.03333,20.34\n",
-      "3.05000,20.34\n",
-      "3.06667,20.34\n",
-      "3.08333,20.34\n",
-      "3.10000,20.34\n",
-      "3.11667,20.34\n",
-      "3.13333,20.34\n",
-      "3.15000,20.34\n",
-      "3.16667,20.34\n",
-      "3.18333,20.34\n",
-      "3.20000,20.33\n",
-      "3.21667,20.33\n",
-      "3.23333,20.33\n",
-      "3.25000,20.33\n",
-      "3.26667,20.33\n",
-      "3.28333,20.33\n",
-      "3.30000,20.33\n",
-      "3.31667,20.33\n",
-      "3.33333,20.33\n",
-      "3.35000,20.33\n",
-      "3.36667,20.33\n",
-      "3.38333,20.33\n",
-      "3.40000,20.33\n",
-      "3.41667,20.33\n",
-      "3.43333,20.33\n",
-      "3.45000,20.33\n",
-      "3.46667,20.33\n",
-      "3.48333,20.33\n",
-      "3.50000,20.33\n",
-      "3.51667,20.33\n",
-      "3.53333,20.36\n",
-      "3.55000,20.36\n",
-      "3.56667,20.36\n",
-      "3.58333,20.36\n",
-      "3.60000,20.36\n",
-      "3.61667,20.36\n",
-      "3.63333,20.36\n",
-      "3.65000,20.36\n",
-      "3.66667,20.36\n",
-      "3.68333,20.36\n",
-      "3.70000,20.36\n",
-      "3.71667,20.36\n",
-      "3.73333,20.36\n",
-      "3.75000,20.36\n",
-      "3.76667,20.36\n",
-      "3.78333,20.36\n",
-      "3.80000,20.36\n",
-      "3.81667,20.36\n",
-      "3.83333,20.36\n",
-      "3.85000,20.36\n",
-      "3.86667,20.33\n",
-      "3.88333,20.33\n",
-      "3.90000,20.33\n",
-      "3.91667,20.33\n",
-      "3.93333,20.33\n",
-      "3.95000,20.33\n",
-      "3.96667,20.33\n",
-      "3.98333,20.33\n",
-      "4.00000,20.33\n",
-      "4.01667,20.33\n",
-      "4.03333,20.35\n",
-      "4.05000,20.35\n",
-      "4.06667,20.35\n",
-      "4.08333,20.35\n",
-      "4.10000,20.35\n",
-      "4.11667,20.35\n",
-      "4.13333,20.35\n",
-      "4.15000,20.35\n",
-      "4.16667,20.35\n",
-      "4.18333,20.35\n",
-      "4.20000,20.34\n",
-      "4.21667,20.34\n",
-      "4.23333,20.34\n",
-      "4.25000,20.34\n",
-      "4.26667,20.34\n",
-      "4.28333,20.34\n",
-      "4.30000,20.34\n",
-      "4.31667,20.34\n",
-      "4.33333,20.34\n",
-      "4.35000,20.34\n",
-      "4.36667,20.36\n",
-      "4.38333,20.36\n",
-      "4.40000,20.36\n",
-      "4.41667,20.36\n",
-      "4.43333,20.36\n",
-      "4.45000,20.36\n",
-      "4.46667,20.36\n",
-      "4.48333,20.36\n",
-      "4.50000,20.36\n",
-      "4.51667,20.36\n",
-      "4.53333,20.35\n",
-      "4.55000,20.35\n",
-      "4.56667,20.35\n",
-      "4.58333,20.35\n",
-      "4.60000,20.35\n",
-      "4.61667,20.35\n",
-      "4.63333,20.35\n",
-      "4.65000,20.35\n",
-      "4.66667,20.35\n",
-      "4.68333,20.35\n",
-      "4.70000,20.36\n",
-      "4.71667,20.36\n",
-      "4.73333,20.36\n",
-      "4.75000,20.36\n",
-      "4.76667,20.36\n",
-      "4.78333,20.36\n",
-      "4.80000,20.36\n",
-      "4.81667,20.36\n",
-      "4.83333,20.36\n",
-      "4.85000,20.36\n",
-      "4.86667,20.37\n",
-      "4.88333,20.37\n",
-      "4.90000,20.37\n",
-      "4.91667,20.37\n",
-      "4.93333,20.37\n",
-      "4.95000,20.37\n",
-      "4.96667,20.37\n",
-      "4.98333,20.37\n",
-      "5.00000,20.37\n",
-      "5.01667,20.37\n",
-      "5.03333,20.40\n",
-      "5.05000,20.40\n",
-      "5.06667,20.40\n",
-      "5.08333,20.40\n",
-      "5.10000,20.40\n",
-      "5.11667,20.40\n",
-      "5.13333,20.40\n",
-      "5.15000,20.40\n",
-      "5.16667,20.40\n",
-      "5.18333,20.40\n",
-      "5.20000,20.40\n",
-      "5.21667,20.40\n",
-      "5.23333,20.40\n",
-      "5.25000,20.40\n",
-      "5.26667,20.40\n",
-      "5.28333,20.40\n",
-      "5.30000,20.40\n",
-      "5.31667,20.40\n",
-      "5.33333,20.40\n",
-      "5.35000,20.40\n",
-      "5.36667,20.37\n",
-      "5.38333,20.37\n",
-      "5.40000,20.37\n",
-      "5.41667,20.37\n",
-      "5.43333,20.37\n",
-      "5.45000,20.37\n",
-      "5.46667,20.37\n",
-      "5.48333,20.37\n",
-      "5.50000,20.37\n",
-      "5.51667,20.37\n",
-      "5.53333,20.40\n",
-      "5.55000,20.40\n",
-      "5.56667,20.40\n",
-      "5.58333,20.40\n",
-      "5.60000,20.40\n",
-      "5.61667,20.40\n",
-      "5.63333,20.40\n",
-      "5.65000,20.40\n",
-      "5.66667,20.40\n",
-      "5.68333,20.40\n",
-      "5.70000,20.37\n",
-      "5.71667,20.37\n",
-      "5.73333,20.37\n",
-      "5.75000,20.37\n",
-      "5.76667,20.37\n",
-      "5.78333,20.37\n",
-      "5.80000,20.37\n",
-      "5.81667,20.37\n",
-      "5.83333,20.37\n",
-      "5.85000,20.37\n",
-      "5.86667,20.41\n",
-      "5.88333,20.41\n",
-      "5.90000,20.41\n",
-      "5.91667,20.41\n",
-      "5.93333,20.41\n",
-      "5.95000,20.41\n",
-      "5.96667,20.41\n",
-      "5.98333,20.41\n",
-      "6.00000,20.41\n",
-      "6.01667,20.41\n",
-      "6.03333,20.37\n",
-      "6.05000,20.37\n",
-      "6.06667,20.37\n",
-      "6.08333,20.37\n",
-      "6.10000,20.37\n",
-      "6.11667,20.37\n",
-      "6.13333,20.37\n",
-      "6.15000,20.37\n",
-      "6.16667,20.37\n",
-      "6.18333,20.37\n",
-      "6.20000,20.40\n",
-      "6.21667,20.40\n",
-      "6.23333,20.40\n",
-      "6.25000,20.40\n",
-      "6.26667,20.40\n",
-      "6.28333,20.40\n",
-      "6.30000,20.40\n",
-      "6.31667,20.40\n",
-      "6.33333,20.40\n",
-      "6.35000,20.40\n",
-      "6.36667,20.42\n",
-      "6.38333,20.42\n",
-      "6.40000,20.42\n",
-      "6.41667,20.42\n",
-      "6.43333,20.42\n",
-      "6.45000,20.42\n",
-      "6.46667,20.42\n",
-      "6.48333,20.42\n",
-      "6.50000,20.42\n",
-      "6.51667,20.42\n",
-      "6.53333,20.42\n",
-      "6.55000,20.42\n",
-      "6.56667,20.42\n",
-      "6.58333,20.42\n",
-      "6.60000,20.42\n",
-      "6.61667,20.42\n",
-      "6.63333,20.42\n",
-      "6.65000,20.42\n",
-      "6.66667,20.42\n",
-      "6.68333,20.42\n",
-      "6.70000,20.44\n",
-      "6.71667,20.44\n",
-      "6.73333,20.44\n",
-      "6.75000,20.44\n",
-      "6.76667,20.44\n",
-      "6.78333,20.44\n",
-      "6.80000,20.44\n",
-      "6.81667,20.44\n",
-      "6.83333,20.44\n",
-      "6.85000,20.44\n",
-      "6.86667,20.41\n",
-      "6.88333,20.41\n",
-      "6.90000,20.41\n",
-      "6.91667,20.41\n",
-      "6.93333,20.41\n",
-      "6.95000,20.41\n",
-      "6.96667,20.41\n",
-      "6.98333,20.41\n",
-      "7.00000,20.41\n",
-      "7.01667,20.41\n",
-      "7.03333,20.45\n",
-      "7.05000,20.45\n",
-      "7.06667,20.45\n",
-      "7.08333,20.45\n",
-      "7.10000,20.45\n",
-      "7.11667,20.45\n",
-      "7.13333,20.45\n",
-      "7.15000,20.45\n",
-      "7.16667,20.45\n",
-      "7.18333,20.45\n",
-      "7.20000,20.43\n",
-      "7.21667,20.43\n",
-      "7.23333,20.43\n",
-      "7.25000,20.43\n",
-      "7.26667,20.43\n",
-      "7.28333,20.43\n",
-      "7.30000,20.43\n",
-      "7.31667,20.43\n",
-      "7.33333,20.43\n",
-      "7.35000,20.43\n",
-      "7.36667,20.43\n",
-      "7.38333,20.43\n",
-      "7.40000,20.43\n",
-      "7.41667,20.43\n",
-      "7.43333,20.43\n",
-      "7.45000,20.43\n",
-      "7.46667,20.43\n",
-      "7.48333,20.43\n",
-      "7.50000,20.43\n",
-      "7.51667,20.43\n",
-      "7.53333,20.43\n",
-      "7.55000,20.43\n",
-      "7.56667,20.43\n",
-      "7.58333,20.43\n",
-      "7.60000,20.43\n",
-      "7.61667,20.43\n",
-      "7.63333,20.43\n",
-      "7.65000,20.43\n",
-      "7.66667,20.43\n",
-      "7.68333,20.43\n",
-      "7.70000,20.43\n",
-      "7.71667,20.43\n",
-      "7.73333,20.43\n",
-      "7.75000,20.43\n",
-      "7.76667,20.43\n",
-      "7.78333,20.43\n",
-      "7.80000,20.43\n",
-      "7.81667,20.43\n",
-      "7.83333,20.43\n",
-      "7.85000,20.43\n",
-      "7.86667,20.48\n",
-      "7.88333,20.48\n",
-      "7.90000,20.48\n",
-      "7.91667,20.48\n",
-      "7.93333,20.48\n",
-      "7.95000,20.48\n",
-      "7.96667,20.48\n",
-      "7.98333,20.48\n",
-      "8.00000,20.48\n",
-      "8.01667,20.48\n",
-      "8.03333,20.43\n",
-      "8.05000,20.43\n",
-      "8.06667,20.43\n",
-      "8.08333,20.43\n",
-      "8.10000,20.43\n",
-      "8.11667,20.43\n",
-      "8.13333,20.43\n",
-      "8.15000,20.43\n",
-      "8.16667,20.43\n",
-      "8.18333,20.43\n",
-      "8.20000,20.45\n",
-      "8.21667,20.45\n",
-      "8.23333,20.45\n",
-      "8.25000,20.45\n",
-      "8.26667,20.45\n",
-      "8.28333,20.45\n",
-      "8.30000,20.45\n",
-      "8.31667,20.45\n",
-      "8.33333,20.45\n",
-      "8.35000,20.45\n",
-      "8.36667,20.46\n",
-      "8.38333,20.46\n",
-      "8.40000,20.46\n",
-      "8.41667,20.46\n",
-      "8.43333,20.46\n",
-      "8.45000,20.46\n",
-      "8.46667,20.46\n",
-      "8.48333,20.46\n",
-      "8.50000,20.46\n",
-      "8.51667,20.46\n",
-      "8.53333,20.45\n",
-      "8.55000,20.45\n",
-      "8.56667,20.45\n",
-      "8.58333,20.45\n",
-      "8.60000,20.45\n",
-      "8.61667,20.45\n",
-      "8.63333,20.45\n",
-      "8.65000,20.45\n",
-      "8.66667,20.45\n",
-      "8.68333,20.45\n",
-      "8.70000,20.48\n",
-      "8.71667,20.48\n",
-      "8.73333,20.48\n",
-      "8.75000,20.48\n",
-      "8.76667,20.48\n",
-      "8.78333,20.48\n",
-      "8.80000,20.48\n",
-      "8.81667,20.48\n",
-      "8.83333,20.48\n",
-      "8.85000,20.48\n",
-      "8.86667,20.45\n",
-      "8.88333,20.45\n",
-      "8.90000,20.45\n",
-      "8.91667,20.45\n",
-      "8.93333,20.45\n",
-      "8.95000,20.45\n",
-      "8.96667,20.45\n",
-      "8.98333,20.45\n",
-      "9.00000,20.45\n",
-      "9.01667,20.45\n",
-      "9.03333,20.48\n",
-      "9.05000,20.48\n",
-      "9.06667,20.48\n",
-      "9.08333,20.48\n",
-      "9.10000,20.48\n",
-      "9.11667,20.48\n",
-      "9.13333,20.48\n",
-      "9.15000,20.48\n",
-      "9.16667,20.48\n",
-      "9.18333,20.48\n",
-      "9.20000,20.46\n",
-      "9.21667,20.46\n",
-      "9.23333,20.46\n",
-      "9.25000,20.46\n",
-      "9.26667,20.46\n",
-      "9.28333,20.46\n",
-      "9.30000,20.46\n",
-      "9.31667,20.46\n",
-      "9.33333,20.46\n",
-      "9.35000,20.46\n",
-      "9.36667,20.48\n",
-      "9.38333,20.48\n",
-      "9.40000,20.48\n",
-      "9.41667,20.48\n",
-      "9.43333,20.48\n",
-      "9.45000,20.48\n",
-      "9.46667,20.48\n",
-      "9.48333,20.48\n",
-      "9.50000,20.48\n",
-      "9.51667,20.48\n",
-      "9.53333,20.45\n",
-      "9.55000,20.45\n",
-      "9.56667,20.45\n",
-      "9.58333,20.45\n",
-      "9.60000,20.45\n",
-      "9.61667,20.45\n",
-      "9.63333,20.45\n",
-      "9.65000,20.45\n",
-      "9.66667,20.45\n",
-      "9.68333,20.45\n",
-      "9.70000,20.48\n",
-      "9.71667,20.48\n",
-      "9.73333,20.48\n",
-      "9.75000,20.48\n",
-      "9.76667,20.48\n",
-      "9.78333,20.48\n",
-      "9.80000,20.48\n",
-      "9.81667,20.48\n",
-      "9.83333,20.48\n",
-      "9.85000,20.48\n",
-      "9.86667,20.48\n",
-      "9.88333,20.48\n",
-      "9.90000,20.48\n",
-      "9.91667,20.48\n",
-      "9.93333,20.48\n",
-      "9.95000,20.48\n",
-      "9.96667,20.48\n",
-      "9.98333,20.48\n",
-      "10.00000,20.48\n",
-      "10.01667,20.48\n",
-      "10.03333,20.49\n",
-      "10.05000,20.49\n",
-      "10.06667,20.49\n",
-      "10.08333,20.49\n",
-      "10.10000,20.49\n",
-      "10.11667,20.49\n",
-      "10.13333,20.49\n",
-      "10.15000,20.49\n",
-      "10.16667,20.49\n",
-      "10.18333,20.49\n",
-      "10.20000,20.52\n",
-      "10.21667,20.52\n",
-      "10.23333,20.52\n",
-      "10.25000,20.52\n",
-      "10.26667,20.52\n",
-      "10.28333,20.52\n",
-      "10.30000,20.52\n",
-      "10.31667,20.52\n",
-      "10.33333,20.52\n",
-      "10.35000,20.49\n",
-      "10.36667,20.49\n",
-      "10.38333,20.49\n",
-      "10.40000,20.49\n",
-      "10.41667,20.49\n",
-      "10.43333,20.49\n",
-      "10.45000,20.49\n",
-      "10.46667,20.49\n",
-      "10.48333,20.49\n",
-      "10.50000,20.49\n",
-      "10.51667,20.49\n",
-      "10.53333,20.53\n",
-      "10.55000,20.53\n",
-      "10.56667,20.53\n",
-      "10.58333,20.53\n",
-      "10.60000,20.53\n",
-      "10.61667,20.53\n",
-      "10.63333,20.53\n",
-      "10.65000,20.53\n",
-      "10.66667,20.53\n",
-      "10.68333,20.53\n",
-      "10.70000,20.52\n",
-      "10.71667,20.52\n",
-      "10.73333,20.52\n",
-      "10.75000,20.52\n",
-      "10.76667,20.52\n",
-      "10.78333,20.52\n",
-      "10.80000,20.52\n",
-      "10.81667,20.52\n",
-      "10.83333,20.52\n",
-      "10.85000,20.49\n",
-      "10.86667,20.49\n",
-      "10.88333,20.49\n",
-      "10.90000,20.49\n",
-      "10.91667,20.49\n",
-      "10.93333,20.49\n",
-      "10.95000,20.49\n",
-      "10.96667,20.49\n",
-      "10.98333,20.49\n",
-      "11.00000,20.49\n",
-      "11.01667,20.49\n",
-      "11.03333,20.50\n",
-      "11.05000,20.50\n",
-      "11.06667,20.50\n",
-      "11.08333,20.50\n",
-      "11.10000,20.50\n",
-      "11.11667,20.50\n",
-      "11.13333,20.50\n",
-      "11.15000,20.50\n",
-      "11.16667,20.50\n",
-      "11.18333,20.50\n",
-      "11.20000,20.51\n",
-      "11.21667,20.51\n",
-      "11.23333,20.51\n",
-      "11.25000,20.51\n",
-      "11.26667,20.51\n",
-      "11.28333,20.51\n",
-      "11.30000,20.51\n",
-      "11.31667,20.51\n",
-      "11.33333,20.51\n",
-      "11.35000,20.54\n",
-      "11.36667,20.54\n",
-      "11.38333,20.54\n",
-      "11.40000,20.54\n",
-      "11.41667,20.54\n",
-      "11.43333,20.54\n",
-      "11.45000,20.54\n",
-      "11.46667,20.54\n",
-      "11.48333,20.54\n",
-      "11.50000,20.54\n",
-      "11.51667,20.51\n",
-      "11.53333,20.51\n",
-      "11.55000,20.51\n",
-      "11.56667,20.51\n",
-      "11.58333,20.51\n",
-      "11.60000,20.51\n",
-      "11.61667,20.51\n",
-      "11.63333,20.51\n",
-      "11.65000,20.51\n",
-      "11.66667,20.51\n",
-      "11.68333,20.51\n",
-      "11.70000,20.53\n",
-      "11.71667,20.53\n",
-      "11.73333,20.53\n",
-      "11.75000,20.53\n",
-      "11.76667,20.53\n",
-      "11.78333,20.53\n",
-      "11.80000,20.53\n",
-      "11.81667,20.53\n",
-      "11.83333,20.53\n",
-      "11.85000,20.55\n",
-      "11.86667,20.55\n",
-      "11.88333,20.55\n",
-      "11.90000,20.55\n",
-      "11.91667,20.55\n",
-      "11.93333,20.55\n",
-      "11.95000,20.55\n",
-      "11.96667,20.55\n",
-      "11.98333,20.55\n",
-      "12.00000,20.55\n",
-      "12.01667,20.55\n",
-      "12.03333,20.56\n",
-      "12.05000,20.56\n",
-      "12.06667,20.56\n",
-      "12.08333,20.56\n",
-      "12.10000,20.56\n",
-      "12.11667,20.56\n",
-      "12.13333,20.56\n",
-      "12.15000,20.56\n",
-      "12.16667,20.56\n",
-      "12.18333,20.55\n",
-      "12.20000,20.55\n",
-      "12.21667,20.55\n",
-      "12.23333,20.55\n",
-      "12.25000,20.55\n",
-      "12.26667,20.55\n",
-      "12.28333,20.55\n",
-      "12.30000,20.55\n",
-      "12.31667,20.55\n",
-      "12.33333,20.55\n",
-      "12.35000,20.53\n",
-      "12.36667,20.53\n",
-      "12.38333,20.53\n",
-      "12.40000,20.53\n",
-      "12.41667,20.53\n",
-      "12.43333,20.53\n",
-      "12.45000,20.53\n",
-      "12.46667,20.53\n",
-      "12.48333,20.53\n",
-      "12.50000,20.53\n",
-      "12.51667,20.55\n",
-      "12.53333,20.55\n",
-      "12.55000,20.55\n",
-      "12.56667,20.55\n",
-      "12.58333,20.55\n",
-      "12.60000,20.55\n",
-      "12.61667,20.55\n",
-      "12.63333,20.55\n",
-      "12.65000,20.55\n",
-      "12.66667,20.55\n",
-      "12.68333,20.55\n",
-      "12.70000,20.55\n",
-      "12.71667,20.55\n",
-      "12.73333,20.55\n",
-      "12.75000,20.55\n",
-      "12.76667,20.55\n",
-      "12.78333,20.55\n",
-      "12.80000,20.55\n",
-      "12.81667,20.55\n",
-      "12.83333,20.55\n",
-      "12.85000,20.55\n",
-      "12.86667,20.56\n",
-      "12.88333,20.56\n",
-      "12.90000,20.56\n",
-      "12.91667,20.56\n",
-      "12.93333,20.56\n",
-      "12.95000,20.56\n",
-      "12.96667,20.56\n",
-      "12.98333,20.56\n",
-      "13.00000,20.56\n",
-      "13.01667,20.56\n",
-      "13.03333,20.54\n",
-      "13.05000,20.54\n",
-      "13.06667,20.54\n",
-      "13.08333,20.54\n",
-      "13.10000,20.54\n",
-      "13.11667,20.54\n",
-      "13.13333,20.54\n",
-      "13.15000,20.54\n",
-      "13.16667,20.54\n",
-      "13.18333,20.55\n",
-      "13.20000,20.55\n",
-      "13.21667,20.55\n",
-      "13.23333,20.55\n",
-      "13.25000,20.55\n",
-      "13.26667,20.55\n",
-      "13.28333,20.55\n",
-      "13.30000,20.55\n",
-      "13.31667,20.55\n",
-      "13.33333,20.55\n",
-      "13.35000,20.58\n",
-      "13.36667,20.58\n",
-      "13.38333,20.58\n",
-      "13.40000,20.58\n",
-      "13.41667,20.58\n",
-      "13.43333,20.58\n",
-      "13.45000,20.58\n",
-      "13.46667,20.58\n",
-      "13.48333,20.58\n",
-      "13.50000,20.58\n",
-      "13.51667,20.56\n",
-      "13.53333,20.56\n",
-      "13.55000,20.56\n",
-      "13.56667,20.56\n",
-      "13.58333,20.56\n",
-      "13.60000,20.56\n",
-      "13.61667,20.56\n",
-      "13.63333,20.56\n",
-      "13.65000,20.56\n",
-      "13.66667,20.56\n",
-      "13.68333,20.57\n",
-      "13.70000,20.57\n",
-      "13.71667,20.57\n",
-      "13.73333,20.57\n",
-      "13.75000,20.57\n",
-      "13.76667,20.57\n",
-      "13.78333,20.57\n",
-      "13.80000,20.57\n",
-      "13.81667,20.57\n",
-      "13.83333,20.57\n",
-      "13.85000,20.56\n",
-      "13.86667,20.56\n",
-      "13.88333,20.56\n",
-      "13.90000,20.56\n",
-      "13.91667,20.56\n",
-      "13.93333,20.56\n",
-      "13.95000,20.56\n",
-      "13.96667,20.56\n",
-      "13.98333,20.56\n",
-      "14.00000,20.56\n",
-      "14.01667,20.60\n",
-      "14.03333,20.60\n",
-      "14.05000,20.60\n",
-      "14.06667,20.60\n",
-      "14.08333,20.60\n",
-      "14.10000,20.60\n",
-      "14.11667,20.60\n",
-      "14.13333,20.60\n",
-      "14.15000,20.60\n",
-      "14.16667,20.60\n",
-      "14.18333,20.57\n",
-      "14.20000,20.57\n",
-      "14.21667,20.57\n",
-      "14.23333,20.57\n",
-      "14.25000,20.57\n",
-      "14.26667,20.57\n",
-      "14.28333,20.57\n",
-      "14.30000,20.57\n",
-      "14.31667,20.57\n",
-      "14.33333,20.57\n",
-      "14.35000,20.56\n",
-      "14.36667,20.56\n",
-      "14.38333,20.56\n",
-      "14.40000,20.56\n",
-      "14.41667,20.56\n",
-      "14.43333,20.56\n",
-      "14.45000,20.56\n",
-      "14.46667,20.56\n",
-      "14.48333,20.56\n",
-      "14.50000,20.56\n",
-      "14.51667,20.57\n",
-      "14.53333,20.57\n",
-      "14.55000,20.57\n",
-      "14.56667,20.57\n",
-      "14.58333,20.57\n",
-      "14.60000,20.57\n",
-      "14.61667,20.57\n",
-      "14.63333,20.57\n",
-      "14.65000,20.57\n",
-      "14.66667,20.57\n",
-      "14.68333,20.58\n",
-      "14.70000,20.58\n",
-      "14.71667,20.58\n",
-      "14.73333,20.58\n",
-      "14.75000,20.58\n",
-      "14.76667,20.58\n",
-      "14.78333,20.58\n",
-      "14.80000,20.58\n",
-      "14.81667,20.58\n",
-      "14.83333,20.58\n",
-      "14.85000,20.59\n",
-      "14.86667,20.59\n",
-      "14.88333,20.59\n",
-      "14.90000,20.59\n",
-      "14.91667,20.59\n",
-      "14.93333,20.59\n",
-      "14.95000,20.59\n",
-      "14.96667,20.59\n",
-      "14.98333,20.59\n",
-      "\n",
-      "[Fraction Collection Report]\n",
-      "# of Fractions,0\n",
-      "\n",
-      "\n"
+      "\u001b[0;31mIndexError\u001b[0m                                Traceback (most recent call last)",
+      "Cell \u001b[0;32mIn[6], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m \u001b[43mce\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43madd_analyte\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mcaffeine\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m3.5\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m4.5\u001b[39;49m\u001b[43m)\u001b[49m\n",
+      "File \u001b[0;32m~/Documents/GitHub/chromatopy/chromatopy/core/chromatigraphicexperiment.py:114\u001b[0m, in \u001b[0;36mChromatigraphicExperiment.add_analyte\u001b[0;34m(self, name, retention_time, molecular_weight, inchi, tolerance)\u001b[0m\n\u001b[1;32m    105\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21madd_analyte\u001b[39m(\n\u001b[1;32m    106\u001b[0m     \u001b[38;5;28mself\u001b[39m,\n\u001b[1;32m    107\u001b[0m     name: \u001b[38;5;28mstr\u001b[39m,\n\u001b[0;32m   (...)\u001b[0m\n\u001b[1;32m    111\u001b[0m     tolerance: \u001b[38;5;28mfloat\u001b[39m \u001b[38;5;241m=\u001b[39m \u001b[38;5;241m0.1\u001b[39m,\n\u001b[1;32m    112\u001b[0m ) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m Molecule:\n\u001b[0;32m--> 114\u001b[0m     analyte \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_set_molecule\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    115\u001b[0m \u001b[43m        \u001b[49m\u001b[43mname\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mname\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    116\u001b[0m \u001b[43m        \u001b[49m\u001b[43mretention_time\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mretention_time\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    117\u001b[0m \u001b[43m        \u001b[49m\u001b[43mrole\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mRole\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mANALYTE\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    118\u001b[0m \u001b[43m        \u001b[49m\u001b[43mmolecular_weight\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mmolecular_weight\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    119\u001b[0m \u001b[43m        \u001b[49m\u001b[43minchi\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43minchi\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    120\u001b[0m \u001b[43m        \u001b[49m\u001b[43mtolerance\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtolerance\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m    121\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    123\u001b[0m     \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39manalytes[name] \u001b[38;5;241m=\u001b[39m analyte\n\u001b[1;32m    125\u001b[0m     \u001b[38;5;28;01mreturn\u001b[39;00m analyte\n",
+      "File \u001b[0;32m~/Documents/GitHub/chromatopy/chromatopy/core/chromatigraphicexperiment.py:141\u001b[0m, in \u001b[0;36mChromatigraphicExperiment._set_molecule\u001b[0;34m(self, name, retention_time, role, molecular_weight, concentrations, signals, concentration_unit, inchi, tolerance, detector)\u001b[0m\n\u001b[1;32m    127\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21m_set_molecule\u001b[39m(\n\u001b[1;32m    128\u001b[0m     \u001b[38;5;28mself\u001b[39m,\n\u001b[1;32m    129\u001b[0m     name: \u001b[38;5;28mstr\u001b[39m,\n\u001b[0;32m   (...)\u001b[0m\n\u001b[1;32m    138\u001b[0m     detector: SignalType \u001b[38;5;241m=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mfid\u001b[39m\u001b[38;5;124m\"\u001b[39m,\n\u001b[1;32m    139\u001b[0m ):\n\u001b[0;32m--> 141\u001b[0m     times, peaks \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_get_peaks_by_retention_time\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    142\u001b[0m \u001b[43m        \u001b[49m\u001b[43mretention_time\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mretention_time\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mtolerance\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mtolerance\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mdetector\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mdetector\u001b[49m\n\u001b[1;32m    143\u001b[0m \u001b[43m    \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    145\u001b[0m     molecule \u001b[38;5;241m=\u001b[39m Molecule(\n\u001b[1;32m    146\u001b[0m         name\u001b[38;5;241m=\u001b[39mname,\n\u001b[1;32m    147\u001b[0m         inchi\u001b[38;5;241m=\u001b[39minchi,\n\u001b[0;32m   (...)\u001b[0m\n\u001b[1;32m    152\u001b[0m         role\u001b[38;5;241m=\u001b[39mrole,\n\u001b[1;32m    153\u001b[0m     )\n\u001b[1;32m    155\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m concentrations \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;129;01mand\u001b[39;00m signals \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m:\n",
+      "File \u001b[0;32m~/Documents/GitHub/chromatopy/chromatopy/core/chromatigraphicexperiment.py:184\u001b[0m, in \u001b[0;36mChromatigraphicExperiment._get_peaks_by_retention_time\u001b[0;34m(self, retention_time, tolerance, detector)\u001b[0m\n\u001b[1;32m    180\u001b[0m \u001b[38;5;28mprint\u001b[39m(detector)\n\u001b[1;32m    182\u001b[0m time \u001b[38;5;241m=\u001b[39m measurement\u001b[38;5;241m.\u001b[39mtimestamp\n\u001b[0;32m--> 184\u001b[0m detector_signals \u001b[38;5;241m=\u001b[39m \u001b[43mmeasurement\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mget\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m    185\u001b[0m \u001b[43m    \u001b[49m\u001b[43mpath\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43msignals\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mattribute\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mtype\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mtarget\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mdetector\u001b[49m\n\u001b[1;32m    186\u001b[0m \u001b[43m\u001b[49m\u001b[43m)\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;241;43m0\u001b[39;49m\u001b[43m]\u001b[49m\n\u001b[1;32m    188\u001b[0m peaks_in_retention_interval \u001b[38;5;241m=\u001b[39m [\n\u001b[1;32m    189\u001b[0m     peak\n\u001b[1;32m    190\u001b[0m     \u001b[38;5;28;01mfor\u001b[39;00m peak \u001b[38;5;129;01min\u001b[39;00m detector_signals\u001b[38;5;241m.\u001b[39mpeaks\n\u001b[1;32m    191\u001b[0m     \u001b[38;5;28;01mif\u001b[39;00m lower_ret \u001b[38;5;241m<\u001b[39m peak\u001b[38;5;241m.\u001b[39mretention_time \u001b[38;5;241m<\u001b[39m upper_ret\n\u001b[1;32m    192\u001b[0m ]\n\u001b[1;32m    194\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mlen\u001b[39m(peaks_in_retention_interval) \u001b[38;5;241m==\u001b[39m \u001b[38;5;241m1\u001b[39m:\n",
+      "\u001b[0;31mIndexError\u001b[0m: list index out of range"
      ]
     }
    ],
    "source": [
-    "with open(path, \"r\", encoding=\"ISO-8859-1\") as f:\n",
-    "    print(f.read())"
+    "ce.add_analyte(\"caffeine\", 3.5, 4.5)"
    ]
   }
  ],
diff --git a/specifications/chromatography.md b/specifications/chromatography.md
index d0303d0..be75723 100644
--- a/specifications/chromatography.md
+++ b/specifications/chromatography.md
@@ -2,11 +2,8 @@
 
 ## Objects
 
-### ChromatigraphicExperiment
+### ChromHandler
 
-- method
-    - Type: Method
-    - Description: Description of the HPLC method
 - molecules
     - Type: Molecule
     - Description: Molecule that can be assigned to a peak. 
@@ -15,7 +12,7 @@
     - Description: Measured signals
     - Multiple: True
 
-### Molecule
+### Analyte
 
 - name
     - Type: string
@@ -360,15 +357,19 @@ Describes properties of a flame ionization detector.
 ### SignalType
 
 ```python
-fid = "fid"
-tcd = "tcd"
+UV = "UV/Visible Absorbance Detectors
+FLD = "fluorescence detector"
+FID = "flame ionization detector"
+TCD = "termal conductivity detector"
+RID = "refractive index detector"
+ELSD = "evaporative light scattering detector"
+MS = "mass spectrometry"
+DAD = "diode array detector"
 ```
 
-## Enumerations
-
 ### Role
 
 ```python
 ANALYTE = "analyte"
-INTERNAL_STANDARD = "internal_standard"
+STANDARD = "standard"
 ```
\ No newline at end of file