diff --git a/CHANGELOG.md b/CHANGELOG.md
index d41a121..8894b5b 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -4,8 +4,11 @@ All notable changes to this project will be documented in this file.
 The format is based on [Keep a Changelog](http://keepachangelog.com/)
 and this project adheres to [Semantic Versioning](http://semver.org/).
 
+
+
 ## [Unreleased]
 ### Added
+- Add compatibility for JSR experiment type
 - Add codemeta file
 
 ### Changed
diff --git a/pyked/chemked.py b/pyked/chemked.py
index fdd147e..05fb95a 100644
--- a/pyked/chemked.py
+++ b/pyked/chemked.py
@@ -2,6 +2,7 @@
 Main ChemKED module
 """
 # Standard libraries
+import os
 from os.path import exists
 from collections import namedtuple
 from warnings import warn
@@ -11,6 +12,7 @@
 from itertools import chain
 
 import numpy as np
+import pandas as pd
 
 # Local imports
 from .validation import schema, OurValidator, yaml, Q_
@@ -120,8 +122,15 @@ def __init__(self, yaml_file=None, dict_input=None, *, skip_validation=False):
             self.validate_yaml(self._properties)
 
         self.datapoints = []
-        for point in self._properties['datapoints']:
-            self.datapoints.append(DataPoint(point))
+        if self._properties['experiment-type'] == 'ignition delay':
+            for point in self._properties['datapoints']:
+                self.datapoints.append(IgnitionDataPoint(point))
+        elif self._properties['experiment-type'] == 'species profile':
+            for point in self._properties['datapoints']:
+                csv_file = os.path.join(os.path.split(yaml_file)[0], point['csvfile'])
+                csv_df = pd.read_csv(csv_file)
+                for i in range(0, len(csv_df)):
+                    self.datapoints.append(SpeciesProfileDataPoint(point, csv_df, i))
 
         self.reference = Reference(
             volume=self._properties['reference'].get('volume'),
@@ -374,10 +383,11 @@ def convert_to_ReSpecTh(self, filename):
         citation = ''
         for author in self.reference.authors:
             citation += author['name'] + ', '
-        citation += (self.reference.journal + ' (' + str(self.reference.year) + ') ' +
-                     str(self.reference.volume) + ':' + self.reference.pages + '. ' +
-                     self.reference.detail
-                     )
+        citation += (
+            self.reference.journal + ' (' + str(self.reference.year) + ') '
+            + str(self.reference.volume) + ':' + self.reference.pages + '. '
+            + self.reference.detail
+        )
         reference.set('preferredKey', citation)
         reference.set('doi', self.reference.doi)
 
@@ -443,17 +453,21 @@ def convert_to_ReSpecTh(self, filename):
         datagroup_link.set('dataPointID', '')
 
         property_idx = {}
-        labels = {'temperature': 'T', 'pressure': 'P',
-                  'ignition delay': 'tau', 'pressure rise': 'dP/dt',
-                  }
+        labels = {
+            'temperature': 'T',
+            'pressure': 'P',
+            'ignition delay': 'tau',
+            'pressure rise': 'dP/dt',
+        }
 
         for prop_name in datagroup_properties:
             attribute = prop_name.replace(' ', '_')
             # This can't be hasattr because properties are set to the value None
             # if no value is specified in the file, so the attribute always exists
-            prop_indices = [i for i, dp in enumerate(self.datapoints)
-                            if getattr(dp, attribute) is not None
-                            ]
+            prop_indices = [
+                i for i, dp in enumerate(self.datapoints)
+                if getattr(dp, attribute) is not None
+            ]
             if prop_name in common or not prop_indices:
                 continue
 
@@ -472,9 +486,9 @@ def convert_to_ReSpecTh(self, filename):
             for dp in self.datapoints:
                 for species in dp.composition.values():
                     # Only add new property for species not already considered
-                    has_spec = any([species.species_name in d.values()
-                                    for d in property_idx.values()
-                                    ])
+                    has_spec = any(
+                        [species.species_name in d.values() for d in property_idx.values()]
+                    )
                     if not has_spec:
                         prop = etree.SubElement(datagroup, 'property')
                         prop.set('description', '')
@@ -507,9 +521,15 @@ def convert_to_ReSpecTh(self, filename):
                             value.text = str(item.amount.magnitude)
 
         # See https://stackoverflow.com/a/16097112 for the None.__ne__
-        history_types = ['volume_history', 'temperature_history', 'pressure_history',
-                         'piston_position_history', 'light_emission_history',
-                         'OH_emission_history', 'absorption_history']
+        history_types = [
+            'volume_history',
+            'temperature_history',
+            'pressure_history',
+            'piston_position_history',
+            'light_emission_history',
+            'OH_emission_history',
+            'absorption_history'
+        ]
         time_histories = [getattr(dp, p) for dp in self.datapoints for p in history_types]
         time_histories = list(filter(None.__ne__, time_histories))
 
@@ -570,8 +590,10 @@ def convert_to_ReSpecTh(self, filename):
             else:
                 ignition.set('type', self.datapoints[0].ignition_type['type'])
         else:
-            raise NotImplementedError('Different ignition targets or types for multiple datapoints '
-                                      'are not supported in ReSpecTh.')
+            raise NotImplementedError(
+                'Different ignition targets or types for multiple datapoints '
+                'are not supported in ReSpecTh.'
+            )
 
         et = etree.ElementTree(root)
         et.write(filename, encoding='utf-8', xml_declaration=True)
@@ -586,10 +608,181 @@ def convert_to_ReSpecTh(self, filename):
 
 
 class DataPoint(object):
-    """Class for a single datapoint.
+    """
+    A base class for a single datapoint.
 
-    The `DataPoint` class stores the information associated with a single data point in the dataset
-    parsed from the `ChemKED` YAML input.
+    Specific types of data point should inherit from this.
+    """
+    def process_csv_row(self, csv_df, row, properties=None, outlet_comp=False, species_name=None):
+        """
+        Process a single entry in column data and return as a units.Quantity object
+        csv_df is a Pandas DataFrame.
+        """
+        if not outlet_comp:
+            column_name = properties[0]['column-name']
+            value = csv_df[column_name][row]
+            for p in properties:
+                units = p.get('units', '')
+                if units:
+                    break
+                # TODO: schema should enforce at most 1 units entry
+
+            value_properties = [f'{value} {units}']
+
+            for p in properties:
+                if p.get('uncertainty-type', False):
+                    # this is the uncertainty data
+                    value_properties.append(p)
+
+            data_entry = self.process_quantity(value_properties)
+        elif outlet_comp and species_name:
+            species_amount = csv_df[species_name][row]
+            column_property = [f'{species_amount}']
+            data_entry = self.process_quantity(column_property)
+        return data_entry
+
+    def process_quantity(self, properties):
+        """
+        Process the units and uncertainty information from a given quantity
+        and return it as a units.Quantity object.
+        """
+        quant = Q_(properties[0])
+        if len(properties) > 1:
+            unc = properties[1]
+            uncertainty = unc.get('uncertainty', False)
+            upper_uncertainty = unc.get('upper-uncertainty', False)
+            lower_uncertainty = unc.get('lower-uncertainty', False)
+            uncertainty_type = unc.get('uncertainty-type')
+            if uncertainty_type == 'relative':
+                if uncertainty:
+                    quant = quant.plus_minus(float(uncertainty), relative=True)
+                elif upper_uncertainty and lower_uncertainty:
+                    warn(
+                        'Asymmetric uncertainties are not supported. The '
+                        'maximum of lower-uncertainty and upper-uncertainty '
+                        'has been used as the symmetric uncertainty.'
+                    )
+                    uncertainty = max(float(upper_uncertainty), float(lower_uncertainty))
+                    quant = quant.plus_minus(uncertainty, relative=True)
+                else:
+                    raise ValueError(
+                        'Either "uncertainty" or "upper-uncertainty" and '
+                        '"lower-uncertainty" need to be specified.'
+                    )
+            elif uncertainty_type == 'absolute':
+                if uncertainty:
+                    uncertainty = Q_(uncertainty)
+                    quant = quant.plus_minus(uncertainty.to(quant.units).magnitude)
+                elif upper_uncertainty and lower_uncertainty:
+                    warn(
+                        'Asymmetric uncertainties are not supported. The '
+                        'maximum of lower-uncertainty and upper-uncertainty '
+                        'has been used as the symmetric uncertainty.'
+                    )
+                    uncertainty = max(Q_(upper_uncertainty), Q_(lower_uncertainty))
+                    quant = quant.plus_minus(uncertainty.to(quant.units).magnitude)
+                else:
+                    raise ValueError(
+                        'Either "uncertainty" or "upper-uncertainty" and '
+                        '"lower-uncertainty" need to be specified.'
+                    )
+            else:
+                raise ValueError('uncertainty-type must be one of "absolute" or "relative"')
+        return quant
+
+    def species_in_datapoint(self, species):
+        raise NotImplementedError
+
+
+class SpeciesProfileDataPoint(DataPoint):
+    """
+    Class for a single JSR experiment data point.
+
+    The `SpeciesProfileDataPoint` class stores the information associated with
+    a species concentration profile for one set of reactor conditions in the
+    dataset parsed from the `ChemKED` YAML input.
+
+    Arguments:
+        properties (`dict`): Dictionary adhering to the ChemKED format for ``datapoints``
+
+    Attributes:
+        inlet_composition (`dict`): Dictionary representing the species and their quantities
+        outet_composition (`dict`): Dictionary representing the species and their quantities
+        temperature (pint.Quantity): The temperature of the experiment
+        pressure (pint.Quantity): The pressure of the experiment
+        reactor_volume (pint.Quantity): The volume of the reactor
+        residence_time (pint.Quantity): Reactor volume divided by the volumetric flow rate
+    """
+    value_unit_props = [
+        'pressure', 'reactor-volume', 'residence-time'
+    ]
+
+    column_unit_props = [
+        'temperature',
+    ]
+
+    def __init__(self, properties, csv_df, row):
+        for prop in self.value_unit_props:
+            if prop in properties:
+                quant = self.process_quantity(properties[prop])
+                setattr(self, prop.replace('-', '_'), quant)
+            else:
+                setattr(self, prop.replace('-', '_'), None)
+
+        for prop in self.column_unit_props:
+            if prop in properties:
+                data_entry = self.process_csv_row(properties=properties[prop], csv_df=csv_df, row=row)
+                setattr(self, prop.replace('-', '_'), data_entry)
+            else:
+                setattr(self, prop.replace('-', '_'), None)
+
+        self.inlet_composition_type = properties['inlet-composition']['kind']
+        inlet_composition = {}
+        for species in properties['inlet-composition']['species']:
+            species_name = species['species-name']
+            amount = self.process_quantity(species['amount'])
+            InChI = species.get('InChI')
+            SMILES = species.get('SMILES')
+            atomic_composition = species.get('atomic-composition')
+            inlet_composition[species_name] = Composition(
+                species_name=species_name,
+                InChI=InChI, SMILES=SMILES,
+                atomic_composition=atomic_composition,
+                amount=amount
+            )
+
+        setattr(self, 'inlet_composition', inlet_composition)
+
+        self.outlet_composition_type = properties['outlet-composition']['kind']
+        outlet_composition = {}
+        for species in properties['outlet-composition']['species']:
+            species_name = species['species-name']
+            amount = self.process_csv_row(csv_df=csv_df, row=row, species_name=species_name, outlet_comp=True)
+            InChI = species.get('InChI')
+            SMILES = species.get('SMILES')
+            atomic_composition = species.get('atomic-composition')
+            outlet_composition[species_name] = Composition(
+                species_name=species_name,
+                InChI=InChI,
+                SMILES=SMILES,
+                atomic_composition=atomic_composition,
+                amount=amount
+            )
+
+        setattr(self, 'outlet_composition', outlet_composition)
+
+    def species_in_datapoint(self, species):
+        return (
+            species in self.outlet_composition.keys()
+            or species in self.inlet_composition.keys()
+        )
+
+
+class IgnitionDataPoint(DataPoint):
+    """Class for a single ignition delay datapoint.
+
+    The `IgnitionDataPoint` class stores the information associated with a single ignition data point
+    in the dataset parsed from the `ChemKED` YAML input.
 
     Arguments:
         properties (`dict`): Dictionary adhering to the ChemKED format for ``datapoints``
@@ -665,8 +858,12 @@ def __init__(self, properties):
             SMILES = species.get('SMILES')
             atomic_composition = species.get('atomic-composition')
             composition[species_name] = Composition(
-                species_name=species_name, InChI=InChI, SMILES=SMILES,
-                atomic_composition=atomic_composition, amount=amount)
+                species_name=species_name,
+                InChI=InChI,
+                SMILES=SMILES,
+                atomic_composition=atomic_composition,
+                amount=amount
+            )
 
         setattr(self, 'composition', composition)
 
@@ -679,8 +876,10 @@ def __init__(self, properties):
         if 'time-histories' in properties:
             for hist in properties['time-histories']:
                 if hasattr(self, '{}_history'.format(hist['type'].replace(' ', '_'))):
-                    raise ValueError('Each history type may only be specified once. {} was '
-                                     'specified multiple times'.format(hist['type']))
+                    raise ValueError(
+                        'Each history type may only be specified once. {} was '
+                        'specified multiple times'.format(hist['type'])
+                    )
                 time_col = hist['time']['column']
                 time_units = hist['time']['units']
                 quant_col = hist['quantity']['column']
@@ -700,9 +899,11 @@ def __init__(self, properties):
                 setattr(self, '{}_history'.format(hist['type'].replace(' ', '_')), time_history)
 
         if 'volume-history' in properties:
-            warn('The volume-history field should be replaced by time-histories. '
-                 'volume-history will be removed after PyKED 0.4',
-                 DeprecationWarning)
+            warn(
+                'The volume-history field should be replaced by time-histories. '
+                'volume-history will be removed after PyKED 0.4',
+                DeprecationWarning
+            )
             time_col = properties['volume-history']['time']['column']
             time_units = properties['volume-history']['time']['units']
             volume_col = properties['volume-history']['volume']['column']
@@ -713,51 +914,21 @@ def __init__(self, properties):
                 volume=Q_(values[:, volume_col], volume_units),
             )
 
-        history_types = ['volume', 'temperature', 'pressure', 'piston_position', 'light_emission',
-                         'OH_emission', 'absorption']
+        history_types = [
+            'volume',
+            'temperature',
+            'pressure',
+            'piston_position',
+            'light_emission',
+            'OH_emission',
+            'absorption'
+        ]
         for h in history_types:
             if not hasattr(self, '{}_history'.format(h)):
                 setattr(self, '{}_history'.format(h), None)
 
-    def process_quantity(self, properties):
-        """Process the uncertainty information from a given quantity and return it
-        """
-        quant = Q_(properties[0])
-        if len(properties) > 1:
-            unc = properties[1]
-            uncertainty = unc.get('uncertainty', False)
-            upper_uncertainty = unc.get('upper-uncertainty', False)
-            lower_uncertainty = unc.get('lower-uncertainty', False)
-            uncertainty_type = unc.get('uncertainty-type')
-            if uncertainty_type == 'relative':
-                if uncertainty:
-                    quant = quant.plus_minus(float(uncertainty), relative=True)
-                elif upper_uncertainty and lower_uncertainty:
-                    warn('Asymmetric uncertainties are not supported. The '
-                         'maximum of lower-uncertainty and upper-uncertainty '
-                         'has been used as the symmetric uncertainty.')
-                    uncertainty = max(float(upper_uncertainty), float(lower_uncertainty))
-                    quant = quant.plus_minus(uncertainty, relative=True)
-                else:
-                    raise ValueError('Either "uncertainty" or "upper-uncertainty" and '
-                                     '"lower-uncertainty" need to be specified.')
-            elif uncertainty_type == 'absolute':
-                if uncertainty:
-                    uncertainty = Q_(uncertainty)
-                    quant = quant.plus_minus(uncertainty.to(quant.units).magnitude)
-                elif upper_uncertainty and lower_uncertainty:
-                    warn('Asymmetric uncertainties are not supported. The '
-                         'maximum of lower-uncertainty and upper-uncertainty '
-                         'has been used as the symmetric uncertainty.')
-                    uncertainty = max(Q_(upper_uncertainty), Q_(lower_uncertainty))
-                    quant = quant.plus_minus(uncertainty.to(quant.units).magnitude)
-                else:
-                    raise ValueError('Either "uncertainty" or "upper-uncertainty" and '
-                                     '"lower-uncertainty" need to be specified.')
-            else:
-                raise ValueError('uncertainty-type must be one of "absolute" or "relative"')
-
-        return quant
+    def species_in_datapoint(self, species):
+        return species in self.composition.keys()
 
     def get_cantera_composition_string(self, species_conversion=None):
         """Get the composition in a string format suitable for input to Cantera.
@@ -791,19 +962,22 @@ def get_cantera_composition_string(self, species_conversion=None):
 
         if species_conversion is None:
             comps = ['{!s}:{:.4e}'.format(c.species_name,
-                     c.amount.magnitude/factor) for c in self.composition.values()]
+                     c.amount.magnitude / factor) for c in self.composition.values()]
         else:
             comps = []
             for c in self.composition.values():
-                amount = c.amount.magnitude/factor
+                amount = c.amount.magnitude / factor
                 idents = [getattr(c, s, False) for s in ['species_name', 'InChI', 'SMILES']]
                 present = [i in species_conversion for i in idents]
                 if not any(present):
                     comps.append('{!s}:{:.4e}'.format(c.species_name, amount))
                 else:
                     if len([i for i in present if i]) > 1:
-                        raise ValueError('More than one conversion present for species {}'.format(
-                                         c.species_name))
+                        raise ValueError(
+                            'More than one conversion present for species {}'.format(
+                                c.species_name
+                            )
+                        )
 
                     ident = idents[present.index(True)]
                     species_replacement_name = species_conversion.pop(ident)
diff --git a/pyked/schemas/chemked_schema.yaml b/pyked/schemas/chemked_schema.yaml
index 3592089..fb80fdf 100644
--- a/pyked/schemas/chemked_schema.yaml
+++ b/pyked/schemas/chemked_schema.yaml
@@ -29,6 +29,8 @@ common-properties:
     ignition-type: *ignition-type
     composition: *composition
     pressure-rise: *value-unit-optional
+    reactor-volume: *value-unit-optional
+    residence-time: *value-unit-optional
 
 apparatus:
   required: true
@@ -38,6 +40,7 @@ apparatus:
       allowed:
         - shock tube
         - rapid compression machine
+        - jet stirred reactor
       required: true
       type: string
     institution:
@@ -73,7 +76,7 @@ reference:
       type: integer
     pages:
       type: string
-chemked-version:  # TODO: Implement proper version comparison
+chemked-version:
   allowed:
     - 0.0.1
     - 0.1.0
@@ -93,6 +96,7 @@ chemked-version:  # TODO: Implement proper version comparison
 experiment-type:
   allowed:
     - ignition delay
+    - species profile
   required: true
   type: string
 file-authors:
diff --git a/pyked/schemas/jsr_schema.yaml b/pyked/schemas/jsr_schema.yaml
new file mode 100644
index 0000000..dbc6f96
--- /dev/null
+++ b/pyked/schemas/jsr_schema.yaml
@@ -0,0 +1,7 @@
+# Common reference for jet stirred reactors
+jsr-schema: &jsr-schema
+  type: list
+  schema:
+    type: dict
+    schema: 
+      inlet: *composition
\ No newline at end of file
diff --git a/pyked/schemas/species_profile_schema.yaml b/pyked/schemas/species_profile_schema.yaml
new file mode 100644
index 0000000..2d07941
--- /dev/null
+++ b/pyked/schemas/species_profile_schema.yaml
@@ -0,0 +1,40 @@
+# Common reference for species profile schema
+species-profile-schema: &species-profile-schema
+  type: list
+  minlength: 1
+  schema:
+    type: dict
+    schema:
+      csv-file:
+        required: true
+        type: string
+      temperature:
+        required: true
+        type: dict
+        schema:
+          column-name:
+            required: true
+            type: string
+          units:
+            required: true
+            type: string
+          uncertainty:
+            type: dict
+            schema:
+              type:
+                required: true
+                type: string
+                allowed:
+                  - relative
+                  - absolute
+              value:
+                required: true
+                type: string
+      pressure: *value-unit-required
+      reactor-volume: *value-unit-required
+      residence-time: *value-unit-required
+      equivalence-ratio:
+        type: float
+        min: 0.0
+      inlet-composition: *composition
+      outlet-composition: *composition
\ No newline at end of file
diff --git a/pyked/tests/new_zhang_phi0.25.csv b/pyked/tests/new_zhang_phi0.25.csv
new file mode 100644
index 0000000..338fc68
--- /dev/null
+++ b/pyked/tests/new_zhang_phi0.25.csv
@@ -0,0 +1,24 @@
+Temperature,n-heptane,oxygen,carbon monoxide,carbon dioxide,methane,acetylene,ethylene,ethane,propene,propane,propadiene,propyne,formaldehyde,ethylene oxide,acetaldehyde,1-butene,2-butene,"1,3-butadiene",n-butane,ethanol,propylene oxide,furan,acrolein,propanal,acetone,1-pentene,2-pentene,cyclopentene,"1,3-pentadiene",2-propen-1-ol,propan-1-ol,butenone,methyl-furan,butanal,2-butanone,1-hexene,2-butenal,acetic acid,pentanal + pentanone,benzene,dihydrofuran,3-heptene,2-heptene,1-heptene,2-hexanone,propanoic acid,2-ethyl-5-methyl-furan,2-methyl-dihydrofuranone,sum of cyclic ether with 5 atoms,sum of cyclic ether with 4 atoms,sum of cyclic ether with 3 atoms,2methanol-5methyl-tetrahydrofuranone,heptanone
+500,4.91E-03,2.33E-01,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,3.40E-08,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,1.45E-06,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,2.50E-08,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,1.40E-06,0.00E+00,3.10E-07,0.00E+00,0.00E+00
+525,4.77E-03,2.30E-01,0.00E+00,0.00E+00,0.00E+00,0.00E+00,1.35E-06,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,2.86E-05,0.00E+00,0.00E+00,0.00E+00,0.00E+00,1.49E-06,0.00E+00,0.00E+00,0.00E+00,5.45E-05,4.60E-06,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,7.49E-07,0.00E+00,4.10E-06,8.55E-06,0.00E+00,0.00E+00,7.65E-06,1.45E-06,2.50E-08,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,9.89E-06,1.21E-06,0.00E+00,3.81E-06,0.00E+00,6.40E-07,0.00E+00,0.00E+00
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+1050,0.00E+00,1.66E-01,3.18E-03,3.32E-02,1.17E-05,1.11E-07,3.76E-06,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,2.29E-06,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00
+1100,0.00E+00,1.64E-01,0.00E+00,3.55E-02,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00,0.00E+00
diff --git a/pyked/tests/test_chemked.py b/pyked/tests/test_chemked.py
index 8314564..651916a 100644
--- a/pyked/tests/test_chemked.py
+++ b/pyked/tests/test_chemked.py
@@ -15,7 +15,7 @@
 
 # Local imports
 from ..validation import schema, OurValidator, yaml, Q_
-from ..chemked import ChemKED, DataPoint, Composition
+from ..chemked import ChemKED, IgnitionDataPoint, Composition
 from ..converters import get_datapoints, get_common_properties
 from .._version import __version__
 
@@ -83,7 +83,7 @@ def test_unallowed_input(self, capfd):
 
         out, err = capfd.readouterr()
         assert out == ("experiment-type has an illegal value. Allowed values are ['ignition "
-                       "delay'] and are case sensitive.\n")
+                       "delay', 'species profile'] and are case sensitive.\n")
 
     def test_missing_input(self, capfd):
         file_path = os.path.join('testfile_required.yaml')
@@ -547,18 +547,18 @@ def load_properties(self, test_file):
 
     def test_create_datapoint(self):
         properties = self.load_properties('testfile_required.yaml')
-        DataPoint(properties[0])
+        IgnitionDataPoint(properties[0])
 
     def test_cantera_unknown_composition_type(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         d.composition_type = 'unknown type'
         with pytest.raises(ValueError):
             d.get_cantera_composition_string()
 
     def test_cantera_composition_mole_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -569,14 +569,14 @@ def test_cantera_composition_mole_fraction(self):
 
     def test_cantera_composition_mole_fraction_bad(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         assert d.composition_type == 'mass fraction'
         with pytest.raises(ValueError):
             d.get_cantera_mole_fraction()
 
     def test_cantera_composition_mass_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -587,14 +587,14 @@ def test_cantera_composition_mass_fraction(self):
 
     def test_cantera_composition_mass_fraction_bad(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert d.composition_type == 'mole fraction'
         with pytest.raises(ValueError):
             d.get_cantera_mass_fraction()
 
     def test_cantera_composition_mole_percent(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[2])
+        d = IgnitionDataPoint(properties[2])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -605,7 +605,7 @@ def test_cantera_composition_mole_percent(self):
 
     def test_cantera_change_species_by_name_mole_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -616,7 +616,7 @@ def test_cantera_change_species_by_name_mole_fraction(self):
 
     def test_cantera_change_species_by_inchi_mole_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -627,7 +627,7 @@ def test_cantera_change_species_by_inchi_mole_fraction(self):
 
     def test_cantera_change_species_by_name_mole_percent(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[2])
+        d = IgnitionDataPoint(properties[2])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -638,7 +638,7 @@ def test_cantera_change_species_by_name_mole_percent(self):
 
     def test_cantera_change_species_by_inchi_mole_percent(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[2])
+        d = IgnitionDataPoint(properties[2])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -649,7 +649,7 @@ def test_cantera_change_species_by_inchi_mole_percent(self):
 
     def test_cantera_change_species_by_name_mass_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -660,7 +660,7 @@ def test_cantera_change_species_by_name_mass_fraction(self):
 
     def test_cantera_change_species_by_inchi_mass_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         # The order of the keys should not change between calls provided the contents of the
         # dictionary don't change. Therefore, spec_order should be the same order as the
         # Cantera mole fraction string constructed in a loop in the code
@@ -671,35 +671,35 @@ def test_cantera_change_species_by_inchi_mass_fraction(self):
 
     def test_cantera_change_species_missing_mole_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         species_conversion = {'this-does-not-exist': 'h2', 'O2': 'o2'}
         with pytest.raises(ValueError):
             d.get_cantera_mole_fraction(species_conversion)
 
     def test_cantera_change_species_missing_mass_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         species_conversion = {'this-does-not-exist': 'h2', 'O2': 'o2'}
         with pytest.raises(ValueError):
             d.get_cantera_mass_fraction(species_conversion)
 
     def test_cantera_change_species_duplicate_mole_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         species_conversion = {'H2': 'h2', '1S/H2/h1H': 'h2'}
         with pytest.raises(ValueError):
             d.get_cantera_mole_fraction(species_conversion)
 
     def test_cantera_change_species_duplicate_mass_fraction(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         species_conversion = {'H2': 'h2', '1S/H2/h1H': 'h2'}
         with pytest.raises(ValueError):
             d.get_cantera_mass_fraction(species_conversion)
 
     def test_composition(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[2])
+        d = IgnitionDataPoint(properties[2])
         assert len(d.composition) == 3
         assert np.isclose(d.composition['H2'].amount, Q_(0.444))
         assert d.composition['H2'].species_name == 'H2'
@@ -710,23 +710,23 @@ def test_composition(self):
 
     def test_ignition_delay(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.ignition_delay, Q_(471.54, 'us'))
 
     def test_first_stage_ignition_delay(self):
         properties = self.load_properties('testfile_rcm2.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.first_stage_ignition_delay.value, Q_(0.5, 'ms'))
         assert np.isclose(d.first_stage_ignition_delay.error, Q_(0.005, 'ms'))
 
     def test_temperature(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.temperature, Q_(1164.48, 'K'))
 
     def test_rcm_data(self):
         properties = self.load_properties('testfile_rcm2.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.rcm_data.compression_time, Q_(38.0, 'ms'))
         assert np.isclose(d.rcm_data.compressed_temperature.value, Q_(765, 'K'))
         assert np.isclose(d.rcm_data.compressed_temperature.error, Q_(7.65, 'K'))
@@ -737,32 +737,32 @@ def test_rcm_data(self):
 
     def test_pressure(self):
         properties = self.load_properties('testfile_required.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.pressure, Q_(220.0, 'kPa'))
 
     def test_pressure_rise(self):
         properties = self.load_properties('testfile_st2.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.pressure_rise, Q_(0.1, '1/ms'))
 
     @pytest.mark.filterwarnings('ignore:Asymmetric uncertainties')
     def test_absolute_sym_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.temperature.value, Q_(1164.48, 'K'))
         assert np.isclose(d.temperature.error, Q_(10, 'K'))
 
     @pytest.mark.filterwarnings('ignore:Asymmetric uncertainties')
     def test_absolute_sym_comp_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.composition['O2'].amount.value, Q_(0.556))
         assert np.isclose(d.composition['O2'].amount.error, Q_(0.002))
 
     @pytest.mark.filterwarnings('ignore:Asymmetric uncertainties')
     def test_relative_sym_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
-        d = DataPoint(properties[1])
+        d = IgnitionDataPoint(properties[1])
         assert np.isclose(d.ignition_delay.value, Q_(471.54, 'us'))
         assert np.isclose(d.ignition_delay.error, Q_(47.154, 'us'))
         assert np.isclose(d.ignition_delay.rel, 0.1)
@@ -770,7 +770,7 @@ def test_relative_sym_uncertainty(self):
     @pytest.mark.filterwarnings('ignore:Asymmetric uncertainties')
     def test_relative_sym_comp_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
         assert np.isclose(d.composition['H2'].amount.value, Q_(0.444))
         assert np.isclose(d.composition['H2'].amount.error, Q_(0.00444))
         assert np.isclose(d.composition['H2'].amount.rel, 0.01)
@@ -778,7 +778,7 @@ def test_relative_sym_comp_uncertainty(self):
     def test_absolute_asym_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
         with pytest.warns(UserWarning) as record:
-            d = DataPoint(properties[2])
+            d = IgnitionDataPoint(properties[2])
         m = str(record.pop(UserWarning).message)
         assert m == ('Asymmetric uncertainties are not supported. The maximum of lower-uncertainty '
                      'and upper-uncertainty has been used as the symmetric uncertainty.')
@@ -790,7 +790,7 @@ def test_absolute_asym_uncertainty(self):
     def test_relative_asym_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
         with pytest.warns(UserWarning) as record:
-            d = DataPoint(properties[3])
+            d = IgnitionDataPoint(properties[3])
         m = str(record.pop(UserWarning).message)
         assert m == ('Asymmetric uncertainties are not supported. The maximum of lower-uncertainty '
                      'and upper-uncertainty has been used as the symmetric uncertainty.')
@@ -804,7 +804,7 @@ def test_relative_asym_uncertainty(self):
     def test_absolute_asym_comp_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
         with pytest.warns(UserWarning) as record:
-            d = DataPoint(properties[0])
+            d = IgnitionDataPoint(properties[0])
         m = str(record.pop(UserWarning).message)
         assert m == ('Asymmetric uncertainties are not supported. The maximum of lower-uncertainty '
                      'and upper-uncertainty has been used as the symmetric uncertainty.')
@@ -812,7 +812,7 @@ def test_absolute_asym_comp_uncertainty(self):
         assert np.isclose(d.composition['Ar'].amount.error, Q_(1.0))
 
         with pytest.warns(UserWarning) as record:
-            d = DataPoint(properties[1])
+            d = IgnitionDataPoint(properties[1])
         m = str(record.pop(UserWarning).message)
         assert m == ('Asymmetric uncertainties are not supported. The maximum of lower-uncertainty '
                      'and upper-uncertainty has been used as the symmetric uncertainty.')
@@ -822,7 +822,7 @@ def test_absolute_asym_comp_uncertainty(self):
     def test_relative_asym_comp_uncertainty(self):
         properties = self.load_properties('testfile_uncertainty.yaml')
         with pytest.warns(UserWarning) as record:
-            d = DataPoint(properties[1])
+            d = IgnitionDataPoint(properties[1])
         m = str(record.pop(UserWarning).message)
         assert m == ('Asymmetric uncertainties are not supported. The maximum of lower-uncertainty '
                      'and upper-uncertainty has been used as the symmetric uncertainty.')
@@ -840,23 +840,23 @@ def test_missing_uncertainty_parts(self):
         for prop in ['uncertainty', 'uncertainty-type']:
             save = properties[0]['temperature'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[0])
+                IgnitionDataPoint(properties[0])
             properties[0]['temperature'][1][prop] = save
 
             save = properties[1]['ignition-delay'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[1])
+                IgnitionDataPoint(properties[1])
             properties[1]['ignition-delay'][1][prop] = save
 
         for prop in ['upper-uncertainty', 'lower-uncertainty']:
             save = properties[2]['temperature'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[2])
+                IgnitionDataPoint(properties[2])
             properties[0]['temperature'][1][prop] = save
 
             save = properties[3]['ignition-delay'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[3])
+                IgnitionDataPoint(properties[3])
             properties[1]['ignition-delay'][1][prop] = save
 
     @pytest.mark.filterwarnings('ignore:Asymmetric uncertainties')
@@ -865,23 +865,23 @@ def test_missing_comp_uncertainty_parts(self):
         for prop in ['uncertainty', 'uncertainty-type']:
             save = properties[0]['composition']['species'][0]['amount'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[0])
+                IgnitionDataPoint(properties[0])
             properties[0]['composition']['species'][0]['amount'][1][prop] = save
 
             save = properties[0]['composition']['species'][1]['amount'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[0])
+                IgnitionDataPoint(properties[0])
             properties[0]['composition']['species'][1]['amount'][1][prop] = save
 
         for prop in ['upper-uncertainty', 'lower-uncertainty']:
             save = properties[0]['composition']['species'][2]['amount'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[0])
+                IgnitionDataPoint(properties[0])
             properties[0]['composition']['species'][2]['amount'][1][prop] = save
 
             save = properties[1]['composition']['species'][2]['amount'][1].pop(prop)
             with pytest.raises(ValueError):
-                DataPoint(properties[1])
+                IgnitionDataPoint(properties[1])
             properties[1]['composition']['species'][2]['amount'][1][prop] = save
 
     def test_volume_history(self):
@@ -891,7 +891,7 @@ def test_volume_history(self):
         """
         properties = self.load_properties('testfile_rcm_old.yaml')
         with pytest.warns(DeprecationWarning) as record:
-            d = DataPoint(properties[0])
+            d = IgnitionDataPoint(properties[0])
         m = str(record.pop(DeprecationWarning).message)
         assert m == ('The volume-history field should be replaced by time-histories. '
                      'volume-history will be removed after PyKED 0.4')
@@ -942,7 +942,7 @@ def test_time_and_volume_histories_error(self):
         properties = self.load_properties('testfile_rcm.yaml')
         properties[0]['volume-history'] = {}
         with pytest.raises(TypeError) as record:
-            DataPoint(properties[0])
+            IgnitionDataPoint(properties[0])
 
         assert 'time-histories and volume-history are mutually exclusive' in str(record.value)
 
@@ -954,7 +954,7 @@ def test_time_histories_array(self, history_type):
         """Check that all of the history types are set properly"""
         properties = self.load_properties('testfile_rcm.yaml')
         properties[0]['time-histories'][0]['type'] = history_type
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
 
         np.testing.assert_allclose(getattr(d, '{}_history'.format(history_type)).time,
                                    Q_(np.arange(0, 9.7e-2, 1.e-3), 's')
@@ -1006,7 +1006,7 @@ def test_time_histories_file(self, history_type):
         file_path = os.path.join('rcm_history.csv')
         filename = pkg_resources.resource_filename(__name__, file_path)
         properties[0]['time-histories'][0]['values'] = {'filename': filename}
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
 
         np.testing.assert_allclose(getattr(d, '{}_history'.format(history_type)).time,
                                    Q_(np.arange(0, 9.7e-2, 1.e-3), 's')
@@ -1061,7 +1061,7 @@ def test_multiple_time_histories(self, history_type):
         properties[0]['time-histories'][0]['type'] = history_type[0]
         properties[0]['time-histories'].append(deepcopy(properties[0]['time-histories'][0]))
         properties[0]['time-histories'][1]['type'] = history_type[1]
-        d = DataPoint(properties[0])
+        d = IgnitionDataPoint(properties[0])
 
         np.testing.assert_allclose(getattr(d, '{}_history'.format(history_type[0])).time,
                                    Q_(np.arange(0, 9.7e-2, 1.e-3), 's'))
@@ -1116,35 +1116,35 @@ def test_duplicate_time_histories(self, history_type):
         properties[0]['time-histories'].append(deepcopy(properties[0]['time-histories'][0]))
         properties[0]['time-histories'][1]['type'] = history_type[1]
         with pytest.raises(ValueError) as record:
-            DataPoint(properties[0])
+            IgnitionDataPoint(properties[0])
         assert ('Each history type may only be specified once. {} was '
                 'specified multiple times'.format(history_type[0])) in str(record.value)
 
     def test_supported_ignition_types(self):
         # pressure d/dt max
         properties = self.load_properties('testfile_st.yaml')
-        datapoints = [DataPoint(d) for d in properties]
+        datapoints = [IgnitionDataPoint(d) for d in properties]
         for d in datapoints:
             assert d.ignition_type['target'] == 'pressure'
             assert d.ignition_type['type'] == 'd/dt max'
 
         # OH, max
         properties = self.load_properties('testfile_st2.yaml')
-        datapoints = [DataPoint(d) for d in properties]
+        datapoints = [IgnitionDataPoint(d) for d in properties]
         for d in datapoints:
             assert d.ignition_type['target'] == 'OH'
             assert d.ignition_type['type'] == 'max'
 
         # OH*, 1/2 max
         properties = self.load_properties('testfile_st_p5.yaml')
-        datapoints = [DataPoint(d) for d in properties]
+        datapoints = [IgnitionDataPoint(d) for d in properties]
         for d in datapoints:
             assert d.ignition_type['target'] == 'OH*'
             assert d.ignition_type['type'] == '1/2 max'
 
         # CH, min
         properties = self.load_properties('testfile_required.yaml')
-        datapoints = [DataPoint(d) for d in properties]
+        datapoints = [IgnitionDataPoint(d) for d in properties]
         assert datapoints[0].ignition_type['target'] == 'CH'
         assert datapoints[0].ignition_type['type'] == 'min'
 
@@ -1154,7 +1154,7 @@ def test_supported_ignition_types(self):
 
     def test_changing_ignition_type(self):
         properties = self.load_properties('testfile_st.yaml')
-        datapoints = [DataPoint(d) for d in properties]
+        datapoints = [IgnitionDataPoint(d) for d in properties]
         datapoints[0].ignition_type['target'] = 'temperature'
         assert datapoints[0].ignition_type['target'] == 'temperature'
         for d in datapoints[1:]:
diff --git a/pyked/tests/test_validation.py b/pyked/tests/test_validation.py
index 50c46f0..0810964 100644
--- a/pyked/tests/test_validation.py
+++ b/pyked/tests/test_validation.py
@@ -359,7 +359,7 @@ def properties(self, request):
         filename = pkg_resources.resource_filename(__name__, file_path)
 
         with open(filename, 'r') as f:
-            return yaml.load(f)
+            return yaml.safe_load(f)
 
     @pytest.mark.parametrize("properties", [
         'testfile_st.yaml', 'testfile_st2.yaml', 'testfile_rcm.yaml', 'testfile_required.yaml',
diff --git a/pyked/tests/testfile_jsr1.yaml b/pyked/tests/testfile_jsr1.yaml
new file mode 100644
index 0000000..9b0ca77
--- /dev/null
+++ b/pyked/tests/testfile_jsr1.yaml
@@ -0,0 +1,179 @@
+---
+file-authors: 
+  - name: Anthony Stohr
+    ORCID: 0000-0002-2388-1723
+  - name: Benjamin Hoare
+    ORCID: 0000-0001-7205-0777
+file-version: 1.0
+chemked-version: 0.4.1
+reference:
+    doi: 10.1016/j.combustflame.2016.06.028
+    authors:
+        - name: Kuiwen Zhang
+        - name: Colin Banyon
+        - name: John Bugler
+        - name: Henry J. Curran
+          ORCID: 0000-0002-5124-8562
+        - name: Anne Rodriguez
+        - name: Olivier Herbinet
+        - name: Frédérique Battin-Leclerc
+          ORCID: 0000-0001-8265-7492
+        - name: Christine BChir
+        - name: Karl Alexander Heufer
+          ORCID: 0000-0003-1657-5231
+    journal: Combustion and Flame
+    year: 2016
+    volume: 172
+    pages: 116-135
+    detail: An updated experimental and kinetic modeling study of n-heptane oxidation
+    
+experiment-type: species profile
+apparatus:
+    kind: jet stirred reactor
+    institution: University of Lorraine, Nancy, France
+    facility: LRGP JSR
+      
+datapoints: 
+    - csvfile: new_zhang_phi0.25.csv
+      temperature:
+        - column-name: Temperature # values are provided in the CSV file
+        - units: K
+        - uncertainty-type: absolute
+          uncertainty: 3 K
+      pressure:
+        - 1.067 bar
+        - uncertainty-type: absolute
+          uncertainty: 0.01 bar # made up for testing
+      reactor-volume:
+        - 0.095 litres
+      residence-time:
+        - 2 s
+      inlet-composition: 
+        kind: mole fraction
+        species:
+          - species-name: n-heptane
+            InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
+            amount: 
+              - 0.005
+              - uncertainty-type: relative
+                uncertainty: 0.05
+          - species-name: He
+            InChI: 1S/He
+            amount: 
+              - 0.775
+              - uncertainty-type: relative
+                uncertainty: 0.05 
+          - species-name: oxygen
+            InChI: 1S/O2/c1-2
+            amount:
+              - 0.22
+              - uncertainty-type: relative
+                uncertainty: 0.05
+      outlet-composition: &out
+          kind: mole fraction
+          species:
+          - species-name: carbon monoxide  # species names must correspond with column headers in the CSV file
+            InChI: 1S/CH2O/c1-2/h1H2
+          - species-name: carbon dioxide
+            InChI: 1S/CO2/c2-1-3
+          - species-name: methane
+            InChI: 1S/CH4/h1H4
+          - species-name: acetylene
+            InChI: 1S/C2H2/c1-2/h1-2H
+          - species-name: ethylene
+            InChI: 1S/C2H4/c1-2/h1-2H2
+          - species-name: ethane
+            InChI: 1S/C2H6/c1-2/h1-2H3
+          - species-name: propene
+            InChI: 1S/C3H6/c1-3-2/h3H,1H2,2H3
+          - species-name: propane
+            InChI: 1S/C3H8/c1-3-2/h3H2,1-2H3
+          - species-name: propadiene
+            InChI: 1S/C3H4/c1-3-2/h1-2H2
+          - species-name: propyne
+            InChI: 1S/C3H4/c1-3-2/h1H,2H3
+          - species-name: formaldehyde
+            InChI: 1S/CH2O/c1-2/h1H2
+          - species-name: ethylene oxide
+            InChI: 1S/C2H4O/c1-2-3-1/h1-2H2
+          - species-name: acetaldehyde
+            InChI: 1S/C2H4O/c1-2-3/h2H,1H3
+          - species-name: 1-butene
+            InChI: 1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
+          - species-name: 2-butene
+            InChI: 1S/C4H8/c1-3-4-2/h3-4H,1-2H3
+          - species-name: 1,3-butadiene
+            InChI: 1S/C4H6/c1-3-4-2/h3-4H,1-2H2
+          - species-name: n-butane
+            InChI: 1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
+          - species-name: ethanol
+            InChI: 1S/C2H6O/c1-2-3/h3H,2H2,1H3
+          - species-name: propylene oxide
+            InChI: 1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
+          - species-name: furan
+            InChI: 1S/C4H4O/c1-2-4-5-3-1/h1-4H
+          - species-name: acrolein
+            InChI: 1S/C3H4O/c1-2-3-4/h2-3H,1H2
+          - species-name: propanal
+            InChI: 1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
+          - species-name: acetone
+            InChI: 1S/C3H6O/c1-3(2)4/h1-2H3
+          - species-name: 1-pentene
+            InChI: 1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
+          - species-name: 2-pentene
+            InChI: 1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3
+          - species-name: cyclopentene
+            InChI: 1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
+          - species-name: 1,3-pentadiene
+            InChI: 1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3
+          - species-name: 2-propen-1-ol
+            InChI: 1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
+          - species-name: propan-1-ol
+            InChI: 1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
+          - species-name: butenone
+            InChI: 1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
+          - species-name: methyl-furan
+            InChI: 1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
+          - species-name: butanal
+            InChI: 1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
+          - species-name: 2-butanone
+            InChI: 1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
+          - species-name: 1-hexene
+            InChI: 1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
+          - species-name: 2-butenal
+            InChI: 1S/C4H6O/c1-2-3-4-5/h2-4H,1H3
+          - species-name: acetic acid
+            InChI: 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
+          - species-name: pentanal + pentanone
+            InChI: 1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
+          - species-name: benzene
+            InChI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H
+          - species-name: dihydrofuran
+            InChI: 1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2
+          - species-name: 3-heptene
+            InChI: 1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3
+          - species-name: 2-heptene
+            InChI: 1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3
+          - species-name: 1-heptene
+            InChI: 1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
+          - species-name: 2-hexanone
+            InChI: 1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
+          - species-name: propanoic acid
+            InChI: 1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
+          - species-name: 2-ethyl-5-methyl-furan
+            InChI: 1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
+          - species-name: 2-methyl-dihydrofuranone
+            InChI: 1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
+          - species-name: sum of cyclic ether with 5 atoms
+                      # could try to get fancy and do SMARTS strings instead of InChI
+                      # or we could just specify "unknown" somehow.
+                      # We don't want to discard the data, even if we can't automatically
+                      # compare to simulations.
+          - species-name: sum of cyclic ether with 4 atoms
+          - species-name: sum of cyclic ether with 3 atoms
+          - species-name: 2methanol-5methyl-tetrahydrofuranone
+            InChI: 1S/C6H10O3/c1-4-6(8)2-5(3-7)9-4/h4-5,7H,2-3H2,1H3
+          - species-name: heptanone
+            InChI: 1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
+
+