From c265e7904f9f55bc3237b9b606bfbdc1ffd223cd Mon Sep 17 00:00:00 2001
From: matterhorn103 <83813148+matterhorn103@users.noreply.github.com>
Date: Tue, 26 Sep 2023 17:50:50 +0200
Subject: [PATCH] Initial commit

---
 LICENSE.md             | 674 +++++++++++++++++++++++++++++++++++
 checknmr.py            | 357 +++++++++++++++++++
 explorer.ico           | Bin 0 -> 65410 bytes
 groups.json            |  20 ++
 mora_path.txt          |   3 +
 mora_the_explorer.py   | 773 +++++++++++++++++++++++++++++++++++++++++
 mora_the_explorer.spec |  57 +++
 requirements.txt       |   8 +
 update_path.txt        |   1 +
 version.txt            |   5 +
 10 files changed, 1898 insertions(+)
 create mode 100644 LICENSE.md
 create mode 100644 checknmr.py
 create mode 100644 explorer.ico
 create mode 100644 groups.json
 create mode 100644 mora_path.txt
 create mode 100644 mora_the_explorer.py
 create mode 100644 mora_the_explorer.spec
 create mode 100644 requirements.txt
 create mode 100644 update_path.txt
 create mode 100644 version.txt

diff --git a/LICENSE.md b/LICENSE.md
new file mode 100644
index 0000000..f288702
--- /dev/null
+++ b/LICENSE.md
@@ -0,0 +1,674 @@
+                    GNU GENERAL PUBLIC LICENSE
+                       Version 3, 29 June 2007
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+  If the Program specifies that a proxy can decide which future
+versions of the GNU General Public License can be used, that proxy's
+public statement of acceptance of a version permanently authorizes you
+to choose that version for the Program.
+
+  Later license versions may give you additional or different
+permissions.  However, no additional obligations are imposed on any
+author or copyright holder as a result of your choosing to follow a
+later version.
+
+  15. Disclaimer of Warranty.
+
+  THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY
+APPLICABLE LAW.  EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT
+HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY
+OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO,
+THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+PURPOSE.  THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM
+IS WITH YOU.  SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF
+ALL NECESSARY SERVICING, REPAIR OR CORRECTION.
+
+  16. Limitation of Liability.
+
+  IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
+WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS
+THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY
+GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
+USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
+DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
+PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
+EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
+SUCH DAMAGES.
+
+  17. Interpretation of Sections 15 and 16.
+
+  If the disclaimer of warranty and limitation of liability provided
+above cannot be given local legal effect according to their terms,
+reviewing courts shall apply local law that most closely approximates
+an absolute waiver of all civil liability in connection with the
+Program, unless a warranty or assumption of liability accompanies a
+copy of the Program in return for a fee.
+
+                     END OF TERMS AND CONDITIONS
+
+            How to Apply These Terms to Your New Programs
+
+  If you develop a new program, and you want it to be of the greatest
+possible use to the public, the best way to achieve this is to make it
+free software which everyone can redistribute and change under these terms.
+
+  To do so, attach the following notices to the program.  It is safest
+to attach them to the start of each source file to most effectively
+state the exclusion of warranty; and each file should have at least
+the "copyright" line and a pointer to where the full notice is found.
+
+    <one line to give the program's name and a brief idea of what it does.>
+    Copyright (C) <year>  <name of author>
+
+    This program is free software: you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    This program is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with this program.  If not, see <https://www.gnu.org/licenses/>.
+
+Also add information on how to contact you by electronic and paper mail.
+
+  If the program does terminal interaction, make it output a short
+notice like this when it starts in an interactive mode:
+
+    <program>  Copyright (C) <year>  <name of author>
+    This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
+    This is free software, and you are welcome to redistribute it
+    under certain conditions; type `show c' for details.
+
+The hypothetical commands `show w' and `show c' should show the appropriate
+parts of the General Public License.  Of course, your program's commands
+might be different; for a GUI interface, you would use an "about box".
+
+  You should also get your employer (if you work as a programmer) or school,
+if any, to sign a "copyright disclaimer" for the program, if necessary.
+For more information on this, and how to apply and follow the GNU GPL, see
+<https://www.gnu.org/licenses/>.
+
+  The GNU General Public License does not permit incorporating your program
+into proprietary programs.  If your program is a subroutine library, you
+may consider it more useful to permit linking proprietary applications with
+the library.  If this is what you want to do, use the GNU Lesser General
+Public License instead of this License.  But first, please read
+<https://www.gnu.org/licenses/why-not-lgpl.html>.
diff --git a/checknmr.py b/checknmr.py
new file mode 100644
index 0000000..1e9ccb7
--- /dev/null
+++ b/checknmr.py
@@ -0,0 +1,357 @@
+"""
+Mora the Explorer checks for new NMR spectra at the Organic Chemistry department at the WWU Münster.
+Copyright (C) 2023 Matthew J. Milner
+
+This program is free software: you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation, either version 3 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License
+along with this program.  If not, see <https://www.gnu.org/licenses/>.
+"""
+
+import filecmp
+import json
+import logging
+import os
+import platform
+import subprocess
+import shutil
+import sys
+from datetime import date, datetime, timedelta
+from pathlib import Path
+
+
+# Checks that two spectra with the same name are actually identical and not e.g. different proton measurements
+def identical_spectra(mora_folder, dest_folder):
+    # Read original folder path (i.e. the experiment no) of spectrum
+    audit_path_mora = mora_folder / "audita.txt"
+    try:
+        with open(audit_path_mora, encoding="utf-8") as audit_file_mora:
+            audit_mora = audit_file_mora.readlines()
+            exp_mora = audit_mora[4]
+    except FileNotFoundError:
+        print(
+            "no audita.txt file found in "
+            + mora_folder
+            + " - presumably measurement was unsuccessful. Spectrum skipped."
+        )
+        # Return True so that the spectrum on mora is treated as identical and not copied
+        return True
+    # Do same for existing spectrum in destination
+    audit_path_dest = dest_folder / "audita.txt"
+    try:
+        with open(audit_path_dest, encoding="utf-8") as audit_file_dest:
+            audit_dest = audit_file_dest.readlines()
+            exp_dest = audit_dest[4]
+    # The first spectrum with a given title is always copied, so it is possible that it doesn't have an audit file
+    except FileNotFoundError:
+        exp_dest = None
+    # Compare experiment nos
+    if exp_mora == exp_dest:
+        return True
+    else:
+        return False
+
+
+# Define main checking function for Mora the Explorer
+def check_nmr(fed_options, check_day, mora_path, spec_paths, wild_group, prog_bar, progress_callback):
+    logging.info(f"Beginning check of {check_day} with the options:")
+    logging.info(fed_options)
+    # Initialize list that will be returned as output
+    output_list = ["no new spectra"]
+    # Confirm destination directory exists
+    if Path(fed_options["dest_path"]).exists() is False:
+        output_list.append("given destination folder not found!")
+        logging.info("given destination folder not found!")
+        return output_list
+    # Confirm mora can be reached
+    if mora_path.exists() is False:
+        output_list.append("the mora server could not be reached!")
+        logging.info("the mora server could not be reached!")
+        return output_list
+    # Format paths of spectrometer folders
+    spectrometer = fed_options["spec"]
+    if spectrometer == "300er":
+        # Add fix here to use folder where spectra from 2022 were moved to in Jan 2023
+        #if check_day[-4:] == "2022":
+        #    primary_check_path = spec_paths[spectrometer] / "22-av300_2022" / check_day
+        #else:
+        primary_check_path = spec_paths[spectrometer] / check_day
+        # Give message if folder for the given date doesn't exist yet
+        if primary_check_path.exists() is False:
+            output_list.append("no folder exists for this date!")
+            return output_list
+        check_path_list = [primary_check_path]
+        # If main folder exists, check if other folders are available for same day (generated on mora when two samples are submitted with same exp. no.)
+        for num in range(2, 10):
+            alt_path = primary_check_path.with_name(primary_check_path.name + "_" + str(num))
+            if alt_path.exists() is True:
+                check_path_list.append(alt_path)
+        logging.info("The following paths will be checked:")
+        logging.info(check_path_list)
+    elif spectrometer == "400er":
+        check_day_a = "neo400a_" + check_day
+        check_day_b = "neo400b_" + check_day
+        check_day_c = "neo400c_" + check_day
+        # Add fix here to use folder where spectra from 2022 were moved to in Jan 2023
+        #if check_day[-4:] == "2022":
+        #    check_path_a = spec_paths[spectrometer] / "22-neo400a_2022" / check_day_a
+        #    check_path_b = spec_paths[spectrometer] / "22-neo400b_2022" / check_day_b
+        #    check_path_c = spec_paths[spectrometer] / "22-neo400c_2022" / check_day_c
+        #else:
+        check_path_a = spec_paths[spectrometer] / check_day_a
+        check_path_b = spec_paths[spectrometer] / check_day_b
+        check_path_c = spec_paths[spectrometer] / check_day_c
+        check_path_300er = spec_paths["300er"] / check_day
+        check_path_list = [check_path_a, check_path_b, check_path_c, check_path_300er]
+        # Add any extra folders for this date beyond the expected four to check list
+        unchanging_check_path_list = check_path_list
+        for entry in unchanging_check_path_list:
+            for num in range(2, 20):
+                alt_path = entry.with_name(entry.name + "_" + str(num))
+                if alt_path.exists() is True:
+                    check_path_list.append(alt_path)
+        logging.info("The following paths will be checked:")
+        logging.info(check_path_list)
+    elif spectrometer == "hf":
+        # Code to check folders of all groups when the nmr group is chosen and the wild group option is invoked
+        if wild_group is True:
+            check_list = []
+            # Slightly complicated bit of code here but it just goes through all folders in 500-600er folder
+            logging.info("The following paths will be checked:")
+            logging.info(spec_paths[spectrometer].parent.iterdir())
+            for group_folder in spec_paths[spectrometer].parent.iterdir():
+                if group_folder.is_dir() and (group_folder.name[0] != "."):
+                    try:
+                        for spectrum_folder in list((group_folder / check_day).iterdir()):
+                            check_list.append(spectrum_folder)
+                    except FileNotFoundError:
+                        logging.info(f"No spectra in {group_folder}")
+                        continue
+        # Normal behaviour for all other users
+        else:
+            logging.info("The following paths will be checked:")
+            logging.info(spec_paths[spectrometer] / check_day)
+            # Try to get list of spectrum folders in folder for requested spectrometer, group and date
+            # Display message to user if it doesn't exist yet
+            try:
+                check_list = list((spec_paths[spectrometer] / check_day).iterdir())
+            except FileNotFoundError:
+                output_list.append("no folder exists for this date!")
+                logging.info("no folder exists for this date!")
+                return output_list
+    # Now process needs to be slightly different depending on the spectrometer, as the directory structures are different
+    if spectrometer == "300er" or spectrometer == "400er":
+        # Initialize progress bar
+        if spectrometer == "300er":
+            prog_bar.setMaximum(100)
+        elif spectrometer == "400er":
+            prog_bar.setMaximum(100 * len(check_path_list))
+        prog_state = 0
+        progress_callback.emit(prog_state)
+        # Loop through each folder in check_path_list (usually only one for 300er, several for 400er as separate ones are generated for each spectrometer)
+        for check_path in check_path_list:
+            try:
+                check_list = list(check_path.iterdir())
+            except FileNotFoundError:
+                continue
+            # Loop through list of spectra in spectrometer folder
+            logging.info("The following spectra were checked for potential matches:")
+            for folder in check_list:
+                logging.info(folder)
+                # Extract title and experiment details from title file in spectrum folder
+                title_file_path = folder / "pdata" / "1" / "title"
+                try:
+                    with open(title_file_path, encoding="utf-8") as title_file:
+                        title_contents = title_file.readlines()
+                    title = title_contents[0]
+                    details = title_contents[1]
+                except FileNotFoundError:
+                    output_list.append(f"{folder} had no title file!")
+                    logging.info("No title file found")
+                    continue
+                split_title = title.split()
+                split_details = details.split()
+                logging.info("    " + str(split_title))
+                logging.info("    " + str(split_details))
+                # Look for search string in extracted title, then copy matching spectra
+                # Confirm that the title is even long enough to avoid IndexErrors
+                if (len(split_title) < 2) or (len(split_title[1]) < 3) or ((wild_group is True) and len(split_title) < 3):
+                    logging.info("Title doesn't have enough parts")
+                    continue
+                # Add nmr to front of spectrum title so that the group initials get matched to the "initials" provided by the user, allowing Klaus to download all spectra from a specific group
+                if (fed_options["group"] == "nmr") and (split_title[0] != "nmr"):
+                        split_title.insert(0, "nmr")
+                # Check if spectrum is a match for search term, including the wild option for the nmr group
+                if (split_title[1][0:3] == fed_options["initials"]) or ((wild_group is True) and (split_title[2][0:3] == fed_options["initials"])):
+                    logging.info("Spectrum matches search query!")
+                    # Formatting options specifically for nmr group, include everything - even date and spec via parent folder name
+                    if fed_options["group"] == "nmr":
+                        new_folder_name = (
+                            ("-".join(split_title[1:])) + "-" + ("-".join(split_details[:2])) + "_" + check_path.name + "_" + folder.name
+                        )
+                    # Otherwise format spectrum name according to user's choices
+                    else:
+                        # Format in the style of NMRCheck if requested i.e. using underscores, including initials and spectrometer and date and exp no
+                        if fed_options["nmrcheck_style"] is True:
+                            if len(split_title) > 2:
+                                hyphenated_title = "_".join(split_title[1:]) + "_" + check_path.name + "_" + folder.name
+                            else:
+                                hyphenated_title = "_".join(split_title) + "_" + check_path.name + "_" + folder.name
+                        # Length checks above and below are to account for the possibility that the user might have forgotten to separate with spaces
+                        # Principle applied is that if the information being dropped isn't 100% definitely what we think it is (i.e. the group name), play it safe and don't drop it
+                        # Now the formatting for most cases (NMRCheck style is legacy)
+                        elif len(split_title) > 2:
+                            if fed_options["inc_init"] is True:
+                                hyphenated_title = "-".join(split_title[1:])
+                            else:
+                                hyphenated_title = "-".join(split_title[2:])
+                        else:
+                            hyphenated_title = "-".join(split_title)
+                        # Append experiment type e.g. proton to end of name, and solvent if requested
+                        if fed_options["inc_solv"] is True:
+                            new_folder_name = (
+                                hyphenated_title + "-" + split_details[0] + "-" + split_details[1]
+                            )
+                        else:
+                            new_folder_name = hyphenated_title + "-" + split_details[0]
+                    new_folder_path = Path(fed_options["dest_path"]) / new_folder_name
+                    # Check that spectrum hasn't been copied before
+                    if new_folder_path.exists() is True:
+                        logging.info("Spectrum with this name already exists in destination")
+                        # Check that the spectra are actually identical and not e.g. different proton measurements
+                        # If confirmed to be unique spectra, need to extend spectrum name with -2, -3 etc. to avoid conflict with spectra already in dest
+                        identical_spectrum_found = False
+                        if identical_spectra(folder, new_folder_path) is False:
+                            new_folder_name = new_folder_path.name + "-2"
+                            new_folder_path = new_folder_path.parent / new_folder_name
+                            # While loop that will eventually settle on a new unique name
+                            while new_folder_path.exists() is True:
+                                # Do whole procedure again as long as name has a match in the destination
+                                if identical_spectra(folder, new_folder_path) == True:
+                                    identical_spectrum_found = True
+                                new_folder_name = (
+                                    new_folder_path.name[:-2]
+                                    + "-"
+                                    + str(int(new_folder_path.name[-1]) + 1)
+                                )
+                                new_folder_path = new_folder_path.parent / new_folder_name
+                            if identical_spectrum_found is not True:
+                                logging.info("but the spectrum itself has not been copied before.")
+                                logging.info(f"Copying with the new name: {new_folder_path.stem}")
+                                try:
+                                    shutil.copytree(folder, new_folder_path)
+                                except PermissionError:
+                                    output_list.append(
+                                        "you do not have permission to write to the given folder"
+                                    )
+                                    logging.info("No write permission for destination")
+                                    return output_list
+                                text_to_add = "spectrum found: " + new_folder_name
+                                output_list.append(text_to_add)
+                    # Otherwise there is no existing spectrum in the destination so straightforward copy
+                    else:
+                        try:
+                            shutil.copytree(folder, new_folder_path)
+                        except PermissionError:
+                            output_list.append(
+                                "you do not have permission to write to the given folder"
+                            )
+                            return output_list
+                        text_to_add = "spectrum found: " + new_folder_name
+                        logging.info(f"Spectrum saved to {new_folder_path}")
+                        output_list.append(text_to_add)
+                # Update progress bar
+                prog_state += 100 / len(check_list)
+                progress_callback.emit(round(prog_state))
+    elif spectrometer == "hf":
+        # Initialize progress bar
+        max_progress = len(check_list)
+        prog_bar.setMaximum(max_progress)
+        prog_state = 0
+        progress_callback.emit(prog_state)
+        # Look for spectra
+        logging.info("The following spectra were checked for potential matches:")
+        for folder in check_list:
+            logging.info(folder)
+            # Check for initials at start of folder name, as folders are given the name of the sample on 500 and 600 MHz spectrometers
+            if folder.name[:3] == fed_options["initials"]:
+                logging.info("Spectrum matches search query!")
+                # Find out magnet strength, set to initial false value as flag
+                magnet_freq = "x"
+                contents_list = list(folder.iterdir())
+                while magnet_freq == "x":
+                    for cont_folder in contents_list:
+                        text_file_path = cont_folder / "text"
+                        if text_file_path.exists() is True:
+                            with open(text_file_path, encoding="utf-8") as spectrum_text:
+                                spectrum_info = spectrum_text.readlines()
+                                line_with_freq_split = spectrum_info[3].split(",")
+                                magnet_freq = line_with_freq_split[0]
+                if fed_options["group"] == "nmr":
+                    new_folder_name = folder.parent.parent.name + "_" + folder.parent.name + "_" + folder.name + "_" + magnet_freq
+                elif fed_options["nmrcheck_style"] is True:
+                    new_folder_name = fed_options["initials"] + "_" + folder.name[3:] + "_" + magnet_freq
+                elif fed_options["inc_init"] is True:
+                    new_folder_name = fed_options["initials"] + "-" + folder.name[3:] + "_" + magnet_freq
+                else:
+                    new_folder_name = folder.name[3:] + "_" + magnet_freq
+                new_folder_path = Path(fed_options["dest_path"]) / new_folder_name
+                # Check that spectrum hasn't been copied before
+                # Begin by setting check number to >0 so that if nothing has ever been copied the spectrum gets copied
+                new_spectra = True
+                partial_copy = False
+                if new_folder_path.exists() is True:
+                    logging.info("Spectrum already exists in destination")
+                    comparison = filecmp.dircmp(folder, new_folder_path)
+                    if len(comparison.left_only) == 0:
+                        new_spectra = False
+                    elif len(comparison.left_only) > 0:
+                        partial_copy = True
+                        logging.info("but only a partial copy")
+                # Only copy if new spectra in folder
+                if new_spectra is True:
+                    if partial_copy is True:
+                        for cont_folder in contents_list:
+                            new_spectrum_path = new_folder_path / cont_folder.name
+                            if new_spectrum_path.exists() is False:
+                                try:
+                                    shutil.copytree(cont_folder, new_spectrum_path)
+                                except PermissionError:
+                                    output_list.append(
+                                        "you do not have permission to write to the given folder"
+                                    )
+                                    return output_list
+                        text_to_add = "spectra found: " + new_folder_name
+                        output_list.append(text_to_add)
+                    else:
+                        try:
+                            shutil.copytree(folder, new_folder_path)
+                        except PermissionError:
+                            output_list.append(
+                                "you do not have permission to write to the given folder"
+                            )
+                            return output_list
+                        text_to_add = "spectra found: " + new_folder_name
+                        output_list.append(text_to_add)
+                    logging.info(f"Spectrum saved to {new_folder_path}")
+                # Make progress bar move noticeably while checking/copying users' spectra so it doesn't look like it has crashed
+                max_progress += 20
+                prog_bar.setMaximum(max_progress)
+                prog_state += 20
+                progress_callback.emit(prog_state)
+            # Update progress bar
+            prog_state += 1
+            progress_callback.emit(prog_state)
+    now = datetime.now().strftime("%H:%M:%S")
+    completed_statement = f"check of {check_day} completed at " + now
+    output_list.append(completed_statement)
+    logging.info(completed_statement)
+    return output_list
diff --git a/explorer.ico b/explorer.ico
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HcmV?d00001

diff --git a/groups.json b/groups.json
new file mode 100644
index 0000000..be8b205
--- /dev/null
+++ b/groups.json
@@ -0,0 +1,20 @@
+{
+    "fer": "fernandez",
+    "gar": "garcia",
+    "gil": "gilmour",
+    "glo": "glorius",
+    "nae": "naesborg",
+    "rav": "ravoo",
+    "stu": "studer",
+    "other": {
+        "ac": "ac",
+        "biochemie": "biochemie",
+        "extern": "extern",
+        "ipc": "ipc",
+        "kb": "kb",
+        "meet": "meet",
+        "nmr": "nmr",
+        "nuk": "nuk",
+        "pharmazie": "pharmazie"
+    }
+}
diff --git a/mora_path.txt b/mora_path.txt
new file mode 100644
index 0000000..21dea55
--- /dev/null
+++ b/mora_path.txt
@@ -0,0 +1,3 @@
+//mora/nmr
+/Volumes/nmr
+overwrite this line with the mount point on Linux
diff --git a/mora_the_explorer.py b/mora_the_explorer.py
new file mode 100644
index 0000000..102d050
--- /dev/null
+++ b/mora_the_explorer.py
@@ -0,0 +1,773 @@
+"""
+Mora the Explorer checks for new NMR spectra at the Organic Chemistry department at the WWU Münster.
+Copyright (C) 2023 Matthew J. Milner
+
+This program is free software: you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation, either version 3 of the License, or
+(at your option) any later version.
+
+This program is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+GNU General Public License for more details.
+
+You should have received a copy of the GNU General Public License
+along with this program.  If not, see <https://www.gnu.org/licenses/>.
+"""
+
+import filecmp
+import json
+import logging
+import os
+import platform
+import subprocess
+import shutil
+import sys
+from datetime import date, datetime, timedelta
+from pathlib import Path
+
+import darkdetect
+import platformdirs
+import plyer
+
+from PySide6.QtCore import QSize, QTimer, Qt, QRunnable, Signal, Slot, QThreadPool, QObject
+from PySide6.QtGui import QIcon, QPalette, QColor
+from PySide6.QtWidgets import (
+    QApplication,
+    QMainWindow,
+    QPushButton,
+    QRadioButton,
+    QButtonGroup,
+    QComboBox,
+    QLabel,
+    QLineEdit,
+    QDateEdit,
+    QCheckBox,
+    QSpinBox,
+    QProgressBar,
+    QScrollArea,
+    QHBoxLayout,
+    QVBoxLayout,
+    QGridLayout,
+    QWidget,
+    QMessageBox,
+)
+
+from checknmr import check_nmr as checknmr
+
+
+# Assign directory containing the various supporting files to a variable so we can use it whenever necessary. For whatever reason __file__ doesn't give the right location on a mac when a .app has been generated with pyinstaller
+if platform.system() == "Darwin" and getattr(sys, "frozen", False):
+    rsrc_dir = Path(sys._MEIPASS)
+else:
+    rsrc_dir = Path(__file__).parent
+
+# Set up logging
+log = rsrc_dir / "log.log"
+logging.basicConfig(filename=log, filemode="w", format="%(asctime)s %(message)s", encoding="utf-8", level=logging.INFO)
+
+class WorkerSignals(QObject):
+    progress = Signal(int)
+    result = Signal(object)
+    completed = Signal()
+
+class Worker(QRunnable):
+    def __init__(self, fn, *args, **kwargs):
+        super(Worker, self).__init__()
+
+        # Pass function itself, along with provided arguments, to new function within the Checker instance
+        self.fn = fn
+        self.args = args
+        self.kwargs = kwargs
+        # Give the Checker signals
+        self.signals = WorkerSignals()
+        # Add the callback to kwargs
+        self.kwargs["progress_callback"] = self.signals.progress
+
+    @Slot()
+    def run(self):
+        # Run the Worker function with passed args, kwargs, including progress_callback
+        output = self.fn(*self.args, **self.kwargs)
+        # Emit the output of the function as the result signal so that it can be picked up
+        self.signals.result.emit(output)
+        self.signals.completed.emit()
+
+
+class MainWindow(QMainWindow):
+    def __init__(self):
+        super().__init__()
+
+        # Check for updates
+        update_return = self.update_check()
+        if update_return == "permission_error":
+            sys.exit()
+
+        # Set up multithreading; MaxThreadCount limited to 1 as checks don't run properly if multiple run concurrently
+        self.threadpool = QThreadPool()
+        self.threadpool.setMaxThreadCount(1)
+
+        # Load initial options from config file, or make one if it doesn't exist yet
+        # platformdirs automatically saves the config file in the place appropriate to the os
+        self.config_file_path = Path(platformdirs.user_config_dir("mora_the_explorer", roaming=True)) / "config.json"
+        old_config_path = rsrc_dir / "config.json"
+        if self.config_file_path.exists() is True:
+            with open(self.config_file_path, encoding="utf-8") as config_file:
+                self.options = json.load(config_file)
+        # If a config file from version <1.4.9 exists in program folder, copy it across to the proper location. Delete later, after everyone has migrated
+        elif old_config_path.exists() is True:
+            self.config_file_path.parent.mkdir(parents=True, exist_ok=True)
+            shutil.copyfile(old_config_path, self.config_file_path)
+            with open(self.config_file_path, encoding="utf-8") as config_file:
+                self.options = json.load(config_file)
+        else:
+            self.options = {
+                "initials": "mjm",
+                "group": "gil",
+                "dest_path": "copy full path here",
+                "inc_init": False,
+                "inc_solv": False,
+                "nmrcheck_style": False,
+                "spec": "400er",
+                "repeat_switch": False,
+                "repeat_delay": 5,
+            }
+            self.config_file_path.parent.mkdir(parents=True, exist_ok=True)
+            with open(self.config_file_path, "w", encoding="utf-8") as config_file:
+                json.dump(self.options, config_file)
+
+        # For users upgrading from <1.5.2, add nmrcheck_style to options
+        if "nmrcheck_style" not in self.options:
+            self.options["nmrcheck_style"] = False
+            with open(self.config_file_path, "w", encoding="utf-8") as config_file:
+                json.dump(self.options, config_file)
+
+        # Load path to mora from file. If none is found, set to default path on Windows, or require user input on other OSes
+        self.mora_location_file_path = rsrc_dir / "mora_path.txt"
+        if self.mora_location_file_path.exists() is True:
+            with open(self.mora_location_file_path, encoding="utf-8") as mora_location_file:
+                mora_path_dict = {}
+                mora_path_dict["Windows"] = Path(mora_location_file.readline().rstrip())
+                mora_path_dict["Darwin"] = Path(mora_location_file.readline().rstrip())
+                mora_path_dict["Linux"] = Path(mora_location_file.readline().rstrip())
+                self.mora_path = mora_path_dict[platform.system()]
+
+        # Load available groups from groups.json
+        with open(rsrc_dir / "groups.json", encoding="utf-8") as groups_file:
+            self.groups_dict = json.load(groups_file)
+
+        # Define paths to spectrometers based on loaded mora_path
+        self.path_300er = self.mora_path / "300er"
+        self.path_400er = self.mora_path / "400er"
+        #self.path_hf = self.mora_path / "500-600er" / self.groups_dict[self.options["group"]]
+        self.spectrometer_paths = {
+            "300er": self.path_300er,
+            "400er": self.path_400er,
+        }
+
+        # Title and version info header
+        self.setWindowTitle("Mora the Explorer")
+        with open(rsrc_dir / "version.txt", encoding="utf-8") as version_file:
+            version_info = version_file.read()
+        version_box = QLabel(version_info)
+        version_box.setAlignment(Qt.AlignHCenter)
+
+        # Setup layouts
+        layout = QVBoxLayout()
+        layout.addWidget(version_box)
+        options_layout = QGridLayout()
+        groups_layout = QHBoxLayout()
+        groups_overflow = QHBoxLayout()
+        spec_layout = QVBoxLayout()
+        options_layout.addLayout(groups_layout, 1, 1)
+        options_layout.addLayout(groups_overflow, 2, 1)
+        options_layout.addLayout(spec_layout, 6, 1, 1, 2)
+        layout.addLayout(options_layout)
+        # Add central widget and give it parent layout
+        layout_widget = QWidget()
+        layout_widget.setLayout(layout)
+        self.setCentralWidget(layout_widget)
+
+        # Initials entry box
+        initials_label = QLabel("initials:")
+        initials_label.setAlignment(Qt.AlignRight | Qt.AlignVCenter)
+        options_layout.addWidget(initials_label, 0, 0)
+
+        self.initials_entry = QLineEdit()
+        self.initials_entry.setMaxLength(3)
+        self.initials_entry.setText(self.options["initials"])
+        # Initialize wild option for later (see initials_changed function)
+        self.wild_group = False
+        self.initials_entry.textChanged.connect(self.initials_changed)
+        options_layout.addWidget(self.initials_entry, 0, 1)
+
+        initials_hint = QLabel("(lowercase!)")
+        initials_hint.setAlignment(Qt.AlignCenter)
+        options_layout.addWidget(initials_hint, 0, 2)
+
+        # Research group selection buttons
+        group_label = QLabel("group:")
+        group_label.setAlignment(Qt.AlignRight | Qt.AlignVCenter)
+        options_layout.addWidget(group_label, 1, 0)
+
+        # Add radio button for each group in groups_dict (loaded earlier)
+        self.AKlist = list(self.groups_dict.keys())
+        self.AK_button_group = QButtonGroup(layout_widget)
+        self.button_list = []
+        for AK in self.AKlist:
+            AKbutton = QRadioButton(AK)
+            self.button_list.append(AKbutton)
+            if (AK == self.options["group"]) or (AK == "other" and self.AK_button_group.checkedButton() is None):
+                AKbutton.setChecked(True)
+            self.AK_button_group.addButton(AKbutton)
+            if len(self.AKlist) <= 4 or self.AKlist.index(AK) < (len(self.AKlist) / 2):
+                groups_layout.addWidget(AKbutton)
+            elif len(self.AKlist) > 4 and self.AKlist.index(AK) >= (len(self.AKlist) / 2):
+                groups_overflow.addWidget(AKbutton)
+        self.AK_button_group.buttonClicked.connect(self.group_changed)
+
+        # Drop down list for further options that appears only when "other" radio button is clicked
+        self.AKlist_other = list(self.groups_dict["other"])
+        self.other_box = QComboBox()
+        self.other_box.addItems(self.AKlist_other)
+        if self.options["group"] in self.AKlist_other:
+            self.other_box.setCurrentText(self.options["group"])
+        else:
+            self.other_box.hide()
+        self.other_box.currentTextChanged.connect(self.group_changed)
+        options_layout.addWidget(self.other_box, 2, 2)
+
+
+        # Destination path entry box
+        dest_path_label = QLabel("save in:")
+        dest_path_label.setAlignment(Qt.AlignRight | Qt.AlignVCenter)
+        options_layout.addWidget(dest_path_label, 3, 0)
+
+        dest_path_input = QLineEdit()
+        dest_path_input.setText(self.options["dest_path"])
+        dest_path_input.textChanged.connect(self.dest_path_changed)
+        options_layout.addWidget(dest_path_input, 3, 1)
+
+        self.open_button = QPushButton("go to")
+        self.open_button.clicked.connect(self.open_path)
+        self.open_button.setShortcut("Ctrl+G")
+        options_layout.addWidget(self.open_button, 3, 2)
+        # Disable button if path hasn't yet been specified to stop new users thinking it should be used to select a folder
+        if self.options["dest_path"] == "copy full path here":
+            self.open_button.hide()
+
+        # File naming options
+        file_naming_layout = QHBoxLayout()
+
+        include_label = QLabel("include:")
+        include_label.setAlignment(Qt.AlignRight | Qt.AlignVCenter)
+        options_layout.addWidget(include_label, 4, 0)
+
+        self.inc_init_checkbox = QCheckBox("initials")
+        self.inc_init_checkbox.setChecked(self.options["inc_init"])
+        self.inc_init_checkbox.stateChanged.connect(self.inc_init_switched)
+        if self.options["nmrcheck_style"] is True:
+            self.inc_init_checkbox.setEnabled(False)
+        file_naming_layout.addWidget(self.inc_init_checkbox)
+
+        self.inc_solv_checkbox = QCheckBox("solvent")
+        self.inc_solv_checkbox.setChecked(self.options["inc_solv"])
+        self.inc_solv_checkbox.stateChanged.connect(self.inc_solv_switched)
+        if self.options["spec"] == "hf":
+            self.inc_solv_checkbox.setEnabled(False)
+        file_naming_layout.addWidget(self.inc_solv_checkbox)
+
+        options_layout.addLayout(file_naming_layout, 4, 1)
+
+        in_filename_label = QLabel("...in filename")
+        in_filename_label.setAlignment(Qt.AlignCenter)
+        options_layout.addWidget(in_filename_label, 4, 2)
+
+        # Option to use NMRCheck-style formatting of folder names
+        self.nmrcheck_style_checkbox = QCheckBox("use comprehensive (NMRCheck) style")
+        self.nmrcheck_style_checkbox.setChecked(self.options["nmrcheck_style"])
+        self.nmrcheck_style_checkbox.stateChanged.connect(self.nmrcheck_style_switched)
+        options_layout.addWidget(self.nmrcheck_style_checkbox, 5, 1, 1, 2)
+
+        # Spectrometer selection buttons
+        spec_label = QLabel("search:")
+        spec_label.setAlignment(Qt.AlignRight | Qt.AlignTop)
+        options_layout.addWidget(spec_label, 6, 0)
+
+        self.spectrometer_text = {
+            "300er": "Studer group NMR only (300 MHz)",
+            "400er": "routine NMR (300 && 400 MHz)",
+            "hf": "high-field spectrometers (500 && 600 MHz)",
+        }
+        self.spec_list = list(self.spectrometer_text.keys())
+        self.spec_button_group = QButtonGroup(layout_widget)
+        self.spec_button_dict = {}
+        self.spec_button_list = []
+        for spec in self.spec_list:
+            spec_button = QRadioButton(self.spectrometer_text[spec])
+            if self.options["spec"] == spec:
+                spec_button.setChecked(True)
+            self.spec_button_group.addButton(spec_button)
+            self.spec_button_dict[spec_button] = spec
+            self.spec_button_list.append(spec_button)
+            spec_button.toggled.connect(self.spec_changed)
+            spec_layout.addWidget(spec_button)
+
+        # Checkbox to instruct to repeat after chosen interval
+        repeat_layout = QHBoxLayout()
+
+        repeat_label = QLabel("repeat:")
+        repeat_label.setAlignment(Qt.AlignRight | Qt.AlignVCenter)
+        options_layout.addWidget(repeat_label, 7, 0)
+
+        self.repeat_check_checkbox = QCheckBox("check every")
+        self.repeat_check_checkbox.setChecked(self.options["repeat_switch"])
+        self.repeat_check_checkbox.stateChanged.connect(self.repeat_switched)
+        repeat_layout.addWidget(self.repeat_check_checkbox)
+
+        repeat_interval = QSpinBox()
+        repeat_interval.setMinimum(1)
+        repeat_interval.setValue(self.options["repeat_delay"])
+        repeat_interval.valueChanged.connect(self.repeat_delay_changed)
+        repeat_layout.addWidget(repeat_interval)
+
+        repeat_mins = QLabel("mins")
+        repeat_layout.addWidget(repeat_mins)
+
+        options_layout.addLayout(repeat_layout, 7, 1)
+
+        # Button to save all options for future
+        self.save_button = QPushButton("save options as defaults for next time")
+        self.save_button.clicked.connect(self.save)
+        options_layout.addWidget(self.save_button, 8, 0, 1, 3)
+        self.save_button.setEnabled(False)
+
+        # Initialize date variable
+        self.date_selected = date.today()
+
+        # Date selection tool for 300er and 400er
+        date_label = QLabel("when?")
+        date_label.setAlignment(Qt.AlignRight | Qt.AlignVCenter)
+        options_layout.addWidget(date_label, 9, 0)
+
+        date_layout = QHBoxLayout()
+        options_layout.addLayout(date_layout, 9, 1)
+        self.only_button = QRadioButton("only")
+        self.since_button = QRadioButton("since")
+        date_layout.addWidget(self.only_button, 0)
+        date_layout.addWidget(self.since_button, 1)
+        self.date_button_group = QButtonGroup(layout_widget)
+        self.date_button_group.addButton(self.only_button)
+        self.date_button_group.addButton(self.since_button)
+        self.date_button_list = [self.only_button, self.since_button]
+        self.since_button.toggled.connect(self.since_function_activated)
+        self.only_button.setChecked(True)
+
+        self.date_selector = QDateEdit()
+        self.date_selector.setDisplayFormat("dd MMM yyyy")
+        self.date_selector.setDate(date.today())
+        self.date_selector.dateChanged.connect(self.date_changed)
+        date_layout.addWidget(self.date_selector, 2)
+
+        self.today_button = QPushButton("today")
+        options_layout.addWidget(self.today_button, 9, 2)
+        self.today_button.clicked.connect(self.set_date_as_today)
+
+        # Date selection tool for hf (only needs year)
+        self.hf_date_selector = QDateEdit()
+        self.hf_date_selector.setDisplayFormat("yyyy")
+        self.hf_date_selector.setDate(date.today())
+        self.hf_date_selector.dateChanged.connect(self.hf_date_changed)
+        options_layout.addWidget(self.hf_date_selector, 9, 1)
+
+        # Button to begin check
+        self.start_check_button = QPushButton("start check now")
+        self.start_check_button.setStyleSheet("background-color : #b88cce")
+        layout.addWidget(self.start_check_button)
+        self.start_check_button.clicked.connect(self.started)
+
+        # Button to cancel pending repeat check
+        self.interrupt_button = QPushButton("cancel repeat check")
+        self.interrupt_button.setStyleSheet("background-color : #cc0010; color : white")
+        layout.addWidget(self.interrupt_button)
+        self.interrupt_button.clicked.connect(self.interrupted)
+        self.interrupt_button.hide()
+
+        # Timer for repeat check, starts checking function when timer runs out
+        self.timer = QTimer()
+        self.timer.setSingleShot(True)
+        self.timer.timeout.connect(self.started)
+
+        # Progress bar for check
+        self.prog_bar = QProgressBar()
+        self.prog_bar.setAlignment(Qt.AlignCenter | Qt.AlignVCenter)
+        layout.addWidget(self.prog_bar)
+
+        # Box to display output of check function (list of copied spectra)
+        self.copied_list = []
+        self.display_layout = QVBoxLayout()
+        self.display = QWidget()
+        self.display.setLayout(self.display_layout)
+        self.display_scroll = QScrollArea()
+        self.display_scroll.setWidgetResizable(True)
+        self.display_scroll.setWidget(self.display)
+        layout.addWidget(self.display_scroll)
+
+        # Extra notification that spectra have been found, dismissable
+        self.notification = QPushButton()
+        layout.addWidget(self.notification)
+        self.notification.clicked.connect(self.notification_clicked)
+        self.notification.hide()
+
+        # Trigger function to adapt which spectrometers are shown to the user based on their selected group
+        self.refresh_visible_specs()
+        # Trigger function to adapt date selector and naming options to the selected spectrometer
+        self.adapt_to_spec()
+        # Trigger function that normally activates when the group is changed so that the hf path is generated
+        self.group_changed()
+
+        # Set up window. macos spaces things out more than windows so give it a bigger window
+        if platform.system() == "Windows":
+            self.setMinimumSize(QSize(380, 650))
+        else:
+            self.setMinimumSize(QSize(450, 780))
+
+    # Now come all the other functions
+
+    # Define function to check for updates at location specified in update_path.txt
+    def update_check(self):
+        logging.info("Checking for updates at:")
+        with open(rsrc_dir / "update_path.txt", encoding="utf-8") as update_path_file:
+            self.update_path = Path(update_path_file.readline().rstrip())
+            update_path_version_file = self.update_path / "version.txt"
+            logging.info(self.update_path)
+        with open(rsrc_dir / "version.txt", encoding="utf-8") as version_file:
+            self.version_no = version_file.readlines()[2].rstrip()
+            logging.info(f"Current version: {self.version_no}")
+        try:
+            if update_path_version_file.exists() is True:
+                with open(update_path_version_file, encoding="utf-8") as newest_version_file:
+                    self.newest_version_no = newest_version_file.readlines()[2].rstrip()
+                if self.version_no != self.newest_version_no:
+                    self.notify_update()
+                return "remote_version_found"
+            else:
+                return "no_remote_version"
+        except PermissionError:
+            failed_permission_dialog = QMessageBox(self)
+            failed_permission_dialog.setWindowTitle("Access to mora server denied")
+            failed_permission_dialog.setText("""
+You have been denied permission to access the mora server.
+Check the connection and your authentication details and try again.
+The program will now close.
+            """)
+            failed_permission_dialog.exec()
+            logging.info("Permission to access server denied")
+            return "permission_error"
+
+    # Popup to notify user that an update is available, with version info
+    def notify_update(self):
+        update_dialog = QMessageBox(self)
+        update_dialog.setWindowTitle("Update available")
+        update_dialog.setText(
+            f"There appears to be a new update available at:\n{self.update_path}"
+        )
+        update_dialog.setInformativeText(f"Your version is {self.version_no}\nThe version on the server is {self.newest_version_no}")
+        update_dialog.setStandardButtons(QMessageBox.Ignore | QMessageBox.Open)
+        update_dialog.setDefaultButton(QMessageBox.Ignore)
+        choice = update_dialog.exec()
+        if choice == QMessageBox.Open:
+            if self.update_path.exists() is True:
+                # Extra quotes necessary because cmd.exe can't handle spaces in path names otherwise
+                os.system(f'start "" "{self.update_path}"')
+
+    # Spawn popup dialog that dissuades user from using the "since" function regularly, unless the nmr group has been selected
+    def since_function_activated(self):
+        since_message = """
+The function to check multiple days at a time should not be used on a regular basis.
+Please switch back to a single-day check once your search is finished.
+The repeat function is also disabled as long as this option is selected.
+            """
+        if self.since_button.isChecked() is True and self.options["group"] != "nmr":
+            since_warning = QMessageBox.warning(self, "Warning", since_message)
+            self.repeat_check_checkbox.setEnabled(False)
+            self.options["repeat_switch"] = False
+        else:
+            self.repeat_check_checkbox.setEnabled(True)
+            self.options["repeat_switch"] = self.repeat_check_checkbox.isChecked()
+
+    def initials_changed(self, new_initials):
+        # Allow initials entry to take five characters total if the nmr group is chosen and the wild group option is invoked
+        if len(new_initials) > 0:
+            if (self.options["group"] == "nmr") and (new_initials.split()[0] == "*"):
+                self.initials_entry.setMaxLength(5)
+                if (len(new_initials.split()) > 1):
+                    self.wild_group = True
+                    self.options["initials"] = new_initials.split()[1]
+                else:
+                    self.options["initials"] = ""
+            else:
+                self.options["initials"] = new_initials
+        else:
+            self.initials_entry.setMaxLength(3)
+            self.options["initials"] = new_initials
+        self.save_button.setEnabled(True)
+
+    def group_changed(self):
+        if self.AK_button_group.checkedButton().text() == "other":
+            self.other_box.show()
+            self.options["group"] = self.other_box.currentText()
+            self.path_hf = (
+                self.mora_path / "500-600er" / self.groups_dict["other"][self.options["group"]]
+            )
+        else:
+            self.other_box.hide()
+            self.options["group"] = self.AK_button_group.checkedButton().text()
+            self.path_hf = (
+                self.mora_path / "500-600er" / self.groups_dict[self.options["group"]]
+            )
+        self.spectrometer_paths["hf"] = self.path_hf
+        self.refresh_visible_specs()
+        # If nmr group has been selected, disable the naming option checkboxes as they will be treated as selected anyway. Also make sure wild option is turned off
+        if self.options["group"] == "nmr":
+            self.inc_init_checkbox.setEnabled(False)
+            self.nmrcheck_style_checkbox.setEnabled(False)
+        else:
+            # Only enable initials checkbox if nmrcheck_style option is not selected, disable otherwise
+            self.inc_init_checkbox.setEnabled(not self.options["nmrcheck_style"])
+            self.nmrcheck_style_checkbox.setEnabled(True)
+            self.wild_group = False
+        if self.options["group"] == "nmr" or self.options["spec"] == "hf":
+            self.inc_solv_checkbox.setEnabled(False)
+        else:
+            self.inc_solv_checkbox.setEnabled(True)
+        self.save_button.setEnabled(True)
+
+    def dest_path_changed(self, new_path):
+        formatted_path = new_path
+        # Best way to ensure cross-platform compatibility is to avoid use of backslashes and then let pathlib.Path take care of formatting
+        if "\\" in formatted_path:
+            formatted_path = formatted_path.replace("\\", "/")
+        # If the option "copy path" is used in Windows Explorer and then pasted into the box, the path will be surrounded by quotes, so remove them if there
+        if formatted_path[0] == '"':
+            formatted_path = formatted_path.replace('"', "")
+        self.options["dest_path"] = formatted_path
+        self.open_button.show()
+        self.save_button.setEnabled(True)
+
+    def open_path(self):
+        if Path(self.options["dest_path"]).exists() is True:
+            if platform.system() == "Windows":
+            # Extra quotes necessary because cmd.exe can't handle spaces in path names otherwise
+                os.system(f'start "" "{self.options["dest_path"]}"')
+            elif platform.system() == "Darwin":
+                subprocess.Popen(["open", self.options["dest_path"]])
+            elif platform.system() == "Linux":
+                subprocess.Popen(["xdg-open", self.options["dest_path"]])
+
+    def inc_init_switched(self):
+        self.options["inc_init"] = self.inc_init_checkbox.isChecked()
+        self.save_button.setEnabled(True)
+
+    def inc_solv_switched(self):
+        self.options["inc_solv"] = self.inc_solv_checkbox.isChecked()
+        self.save_button.setEnabled(True)
+
+    def nmrcheck_style_switched(self):
+        self.options["nmrcheck_style"] = self.nmrcheck_style_checkbox.isChecked()
+        self.save_button.setEnabled(True)
+        self.inc_init_checkbox.setEnabled(not self.nmrcheck_style_checkbox.isChecked())
+        self.adapt_to_spec()
+
+    def refresh_visible_specs(self):
+        if self.options["group"] in ["stu", "nae", "nmr"]:
+            self.spec_button_list[0].show()
+        else:
+            self.spec_button_list[0].hide()
+
+    def spec_changed(self):
+        self.options["spec"] = self.spec_button_dict[self.spec_button_group.checkedButton()]
+        self.adapt_to_spec()
+        self.save_button.setEnabled(True)
+
+    def adapt_to_spec(self):
+        if self.options["spec"] == "hf":
+            # Including the solvent in the title is not supported for high-field measurements so disable option
+            self.inc_solv_checkbox.setEnabled(False)
+            self.repeat_check_checkbox.setEnabled(False)
+            self.date_selector.hide()
+            self.today_button.setEnabled(False)
+            self.hf_date_selector.show()
+        else:
+            if self.options["group"] != "nmr" and self.options["nmrcheck_style"] is False:
+                self.inc_solv_checkbox.setEnabled(True)
+            self.repeat_check_checkbox.setEnabled(True)
+            self.hf_date_selector.hide()
+            self.date_selector.show()
+            self.today_button.setEnabled(True)
+
+    def repeat_switched(self):
+        self.options["repeat_switch"] = self.repeat_check_checkbox.isChecked()
+        self.save_button.setEnabled(True)
+
+    def repeat_delay_changed(self, new_delay):
+        self.options["repeat_delay"] = new_delay
+        self.save_button.setEnabled(True)
+
+    def save(self):
+        with open(self.config_file_path, "w", encoding="utf-8") as config_file:
+            json.dump(self.options, config_file)
+        self.save_button.setEnabled(False)
+
+    def date_changed(self):
+        self.date_selected = self.date_selector.date().toPython()
+
+    def hf_date_changed(self):
+        self.date_selected = self.hf_date_selector.date().toPython()
+
+    def set_date_as_today(self):
+        self.date_selector.setDate(date.today())
+
+    # Converts Python datetime.date object to the same format used in the folder names on Mora
+    def format_date(self, input_date):
+        if self.options["spec"] == "hf":
+            formatted_date = input_date.strftime("%Y")
+        else:
+            formatted_date = input_date.strftime("%b%d-%Y")
+        return formatted_date
+
+    def started(self):
+        if self.only_button.isChecked() is True or self.options["spec"] == "hf":
+            self.queued_checks = 1
+            self.single_check(self.date_selected)
+        elif self.since_button.isChecked() is True:
+            # Give number of checks initial value of zero so it can be added to iteratively below
+            self.queued_checks = 0
+            self.multiday_check(self.date_selected)
+
+    def single_check(self, date):
+        self.start_check_button.setEnabled(False)
+        formatted_date = self.format_date(date)
+        # Start main checking function in worker thread
+        worker = Worker(checknmr, self.options, formatted_date, self.mora_path, self.spectrometer_paths, self.wild_group, self.prog_bar)
+        worker.signals.progress.connect(self.update_progress)
+        worker.signals.result.connect(self.handle_output)
+        worker.signals.completed.connect(self.check_ended)
+        self.threadpool.start(worker)
+
+    def multiday_check(self, initial_date):
+        end_date = date.today() + timedelta(days=1)
+        date_to_check = initial_date
+        while date_to_check != end_date:
+            self.single_check(date_to_check)
+            date_to_check += timedelta(days=1)
+            self.queued_checks += 1
+
+    def update_progress(self, prog_state):
+        self.prog_bar.setValue(prog_state)
+
+    def handle_output(self, final_output):
+        self.copied_list = final_output
+
+    def check_ended(self):
+        # Set progress to 100% just in case it didn't reach it for whatever reason
+        self.prog_bar.setMaximum(1)
+        self.prog_bar.setValue(1)
+        # Will only not be true if an unknown error occurred, in all cases len will be at least 2
+        if len(self.copied_list) > 1:
+            # At least one spectrum was found
+            if self.copied_list[1][:5] == "spect":
+                self.copied_list.pop(0)
+                self.notify(self.copied_list)
+            # No spectra were found but check completed successfully
+            elif self.copied_list[1][:5] == "check":
+                pass
+            # Known error occurred
+            else:
+                self.copied_list.pop(0)
+                self.notify(self.copied_list)
+        else:
+            # Unknown error occurred, output of check function was returned without appending anything to copied_list
+            self.copied_list.pop(0)
+            self.notify(self.copied_list)
+        # Display output
+        for entry in self.copied_list:
+            entry_label = QLabel(entry)
+            self.display_layout.addWidget(entry_label)
+            # Move scroll area so that the user sees immediately which spectra were found or what the error was - but only the first time this happens (haven't been able to make this work)
+            #if entry == self.copied_list[0] and self.copied_list[0][:5] != "check":
+                #QApplication.processEvents()
+                #self.display_scroll.ensureWidgetVisible(entry_label, ymargin=50)
+        # Behaviour for repeat check function. Deactivate for hf spectrometer. See also self.timer in init function
+        if (self.options["repeat_switch"] is True) and (self.options["spec"] != "hf"):
+            self.start_check_button.hide()
+            self.interrupt_button.show()
+            self.timer.start(int(self.options["repeat_delay"]) * 60 * 1000)
+        # Enable start check button again, but only if all queued checks have finished
+        self.queued_checks -= 1
+        if self.queued_checks == 0:
+            self.start_check_button.setEnabled(True)
+
+    # I suspect this duplicates the functionality above, and doesn't seem to be used anywhere? Consider removal
+    def start_timer(self):
+        self.start_check_button.hide()
+        self.interrupt_button.show()
+        self.timer.start(int(self.options["repeat_delay"]) * 60 * 1000)
+
+    def interrupted(self):
+        self.timer.stop()
+        self.start_check_button.show()
+        self.interrupt_button.hide()
+
+    def notify(self, copied_list):
+        # If spectra were found, the list will have len > 1, if a known error occurred, the list will have len 1, if an unknown error occurred, the list will be empty
+        if len(copied_list) > 1:
+            notification_text = "Spectra have been found!"
+            self.notification.setText(notification_text + " Ctrl+G to go to. Click to dismiss")
+            self.notification.setStyleSheet("background-color : limegreen")
+        else:
+            self.notification.setStyleSheet("background-color : #cc0010; color : white")
+            try:
+                notification_text = "Error: " + copied_list[0]
+            except:
+                notification_text = "Unknown error occurred."
+            self.notification.setText(notification_text + " Click to dismiss")
+        self.notification.show()
+        # Display system notification - doesn't seem to be implemented for macOS currently
+        try:
+            plyer.notification.notify(title="Hola!", message=notification_text, app_name="Mora the Explorer", timeout=120)
+        except:
+            pass
+
+    def notification_clicked(self):
+        self.notification.hide()
+
+logging.info("Initializing program")
+app = QApplication(sys.argv)
+
+# Create instance of MainWindow as defined above, then show it
+window = MainWindow()
+window.show()
+
+
+# Make dark mode less black because Windows dark mode looks bad
+dark_palette = QPalette()
+dark_palette.setColor(QPalette.Window, QColor(53, 53, 53))
+dark_palette.setColor(QPalette.WindowText, Qt.white)
+dark_palette.setColor(QPalette.Base, QColor(25, 25, 25))
+dark_palette.setColor(QPalette.AlternateBase, QColor(53, 53, 53))
+dark_palette.setColor(QPalette.ToolTipBase, Qt.black)
+dark_palette.setColor(QPalette.ToolTipText, Qt.white)
+dark_palette.setColor(QPalette.Text, Qt.white)
+dark_palette.setColor(QPalette.Button, QColor(53, 53, 53))
+dark_palette.setColor(QPalette.ButtonText, Qt.white)
+dark_palette.setColor(QPalette.BrightText, Qt.red)
+dark_palette.setColor(QPalette.Link, QColor(42, 130, 218))
+dark_palette.setColor(QPalette.Highlight, QColor(42, 130, 218))
+dark_palette.setColor(QPalette.HighlightedText, Qt.black)
+if darkdetect.isDark() is True and platform.system() == "Windows":
+    app.setStyle("Fusion")
+    app.setPalette(dark_palette)
+
+app.setWindowIcon(QIcon("explorer.ico"))
+app.exec()
diff --git a/mora_the_explorer.spec b/mora_the_explorer.spec
new file mode 100644
index 0000000..2a3cf58
--- /dev/null
+++ b/mora_the_explorer.spec
@@ -0,0 +1,57 @@
+# -*- mode: python ; coding: utf-8 -*-
+
+
+block_cipher = None
+
+
+a = Analysis(
+    ['mora_the_explorer.py'],
+    pathex=[],
+    binaries=[],
+    datas=[('LICENSE.md', '.'), ('README.md', '.'), ('explorer.ico', '.'), ('requirements.txt', '.'), ('update_path.txt', '.'), ('mora_path.txt', '.'), ('version.txt', '.'), ('groups.json', '.')],
+    hiddenimports=['plyer.platforms.win.notification', 'plyer.platforms.macosx.notification', 'plyer.platforms.linux.notification'],
+    hookspath=[],
+    hooksconfig={},
+    runtime_hooks=[],
+    excludes=[],
+    win_no_prefer_redirects=False,
+    win_private_assemblies=False,
+    cipher=block_cipher,
+    noarchive=False,
+)
+pyz = PYZ(a.pure, a.zipped_data, cipher=block_cipher)
+
+exe = EXE(
+    pyz,
+    a.scripts,
+    [],
+    exclude_binaries=True,
+    name='mora_the_explorer',
+    icon='explorer.ico',
+    debug=False,
+    bootloader_ignore_signals=False,
+    strip=False,
+    upx=True,
+    console=False,
+    disable_windowed_traceback=False,
+    argv_emulation=False,
+    target_arch=None,
+    codesign_identity=None,
+    entitlements_file=None,
+)
+coll = COLLECT(
+    exe,
+    a.binaries,
+    a.zipfiles,
+    a.datas,
+    strip=False,
+    upx=True,
+    upx_exclude=[],
+    name='mora_the_explorer',
+)
+app = BUNDLE(
+    coll,
+    name='mora_the_explorer.app',
+    icon='explorer.ico',
+    bundle_identifier=None,
+)
diff --git a/requirements.txt b/requirements.txt
new file mode 100644
index 0000000..5cb6d71
--- /dev/null
+++ b/requirements.txt
@@ -0,0 +1,8 @@
+darkdetect>=0.8.0
+platformdirs>=3.2.0
+plyer>=2.1.0
+Pillow>=9.2.0
+PySide6>=6.4.2
+PySide6-Addons>=6.4.2
+PySide6-Essentials>=6.4.2
+shiboken6>=6.4.2
diff --git a/update_path.txt b/update_path.txt
new file mode 100644
index 0000000..f95ade3
--- /dev/null
+++ b/update_path.txt
@@ -0,0 +1 @@
+//mora/nmr/mnova/mora_the_explorer
diff --git a/version.txt b/version.txt
new file mode 100644
index 0000000..7125320
--- /dev/null
+++ b/version.txt
@@ -0,0 +1,5 @@
+Mora the Explorer
+Matt Milner
+v1.5.3
+License: GPLv3
+Please report any bugs to milner@uni-muenster.de!