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https://github.com/ethanbass/chromconverterextratests

Extra test files for chromConverter package
https://github.com/ethanbass/chromconverterextratests

Last synced: 4 days ago
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Extra test files for chromConverter package

Host: GitHub
URL: https://github.com/ethanbass/chromconverterextratests
Owner: ethanbass
Created: 2023-09-26T14:39:02.000Z (about 1 year ago)
Default Branch: main
Last Pushed: 2024-08-28T23:46:37.000Z (4 months ago)
Last Synced: 2024-08-29T00:53:16.705Z (4 months ago)
Homepage:
Size: 54.7 MB
Stars: 1
Watchers: 1
Forks: 0
Open Issues: 0
Metadata Files:
- Readme: README.md
- Changelog: NEWS.md

Awesome Lists containing this project

README

        This repository contains additional chromatography test files for the [chromConverter](https://ethanbass.github.io/chromConverter/) package.

| File | Format | Source | URL | License |

| ----- | ----- | ------ | --- | ------- |

agilent.dx | 'Agilent' (.dx) | [YADG: yet another datagram](https://github.com/dgbowl/yadg) | https://github.com/dgbowl/yadg/blob/master/tests/test_chromtrace/2021-11-12%2012-39-18%2B01-00-02.dx | [GPL3](https://www.gnu.org/licenses/gpl-3.0.en.html) |

ASM-liquid-chromatography.json | [Allotrope Foundation](https://www.allotrope.org/) | https://gitlab.com/allotrope-public/asm | [CC-BY-NC-4.0](https://creativecommons.org/licenses/by-nc/4.0/)

ASM-gas-chromatography.tabular.json | [Allotrope Foundation](https://www.allotrope.org/) | https://gitlab.com/allotrope-public/asm | [CC-BY-NC-4.0](https://creativecommons.org/licenses/by-nc/4.0/)

20220404_CirA_D2_04.raw | Thermo Raw (.raw) | [Benjamin Reisman](https://github.com/bjreisman) | -- | -- |

small.raw | Thermo Raw (.raw) | [ThermoRawFileParser](https://github.com/compomics/ThermoRawFileParser) | https://github.com/compomics/ThermoRawFileParser/blob/master/ThermoRawFileParserTest/Data/small.RAW | -- |

Anthocyanin.lcd | 'Shimadzu LabSolutions' (.lcd) | [Silas Mellor](https://github.com/silasmellor)| https://github.com/ethanbass/chromConverter/issues/11 | -- |

shimadzuDAD_Anthocyanin.txt |  'Shimadzu LabSolutions' ascii (.txt) | [Silas Mellor](https://github.com/silasmellor) | https://github.com/ethanbass/chromConverter/issues/11 | -- |

shimadzuDAD_comma.txt |  'Shimadzu' LabSolutions ascii (.txt) (comma-separated) | [Todd Johnson](https://orcid.org/0000-0002-6170-5077) | -- | -- |

FS19_214.gcd |  'Shimadzu LabSolutions' GCD (.gcd) | [Andrew W. Legan](https://orcid.org/0000-0001-7049-9837) | -- | [CC0](https://creativecommons.org/public-domain/cc0/) |

B4NF.7_C23.qgd | 'Shimadzu GCMSsolution' data file (.qgd) | [Enikő Csata](https://orcid.org/0000-0003-2564-9706) et al | https://datadryad.org/stash/dataset/doi:10.5061/dryad.8gtht76s4 | CC0 1.0 |

multichannel_chrom.lcd | 'Shimadzu LabSolutions' LCD (.lcd) | [Andrew Tolonen](https://orcid.org/0000-0001-5907-4504) | https://github.com/actolonen/Analysis_Lab/tree/main/HPLC/ChromConverter/Files_LabSolutions | MIT (c) 2024 Andrew Tolonen|

multichannel_chrom.txt | 'Shimadzu LabSolutions' ascii (.txt) | [Andrew Tolonen](https://orcid.org/0000-0001-5907-4504) | https://github.com/actolonen/Analysis_Lab/tree/main/HPLC/ChromConverter/Files_LabSolutions | MIT (c) 2024 Andrew Tolonen|

chemstation_30.ch | 'Agilent ChemStation' (version 30)  | James Campbell | -- | -- |

chemstation_31.uv | 'Agilent ChemStation' (version 31) | James Campbell | -- | -- |

chemstation_81.ch | 'Agilent ChemStation' (version 81) | [Roderick Bovee](https://github.com/bovee/) | https://github.com/bovee/entab/blob/main/entab/tests/data/test_fid.ch | [MIT](https://opensource.org/license/mit/) (c) 2014 Roderick Bovee |

chemstation_130.ch | 'Agilent ChemStation' (version 130) | [Susan Whitehead](https://orcid.org/0000-0002-7089-4594) | -- | -- |

chemstation_179_mustang.ch | 'Agilent ChemStation' ('Mustang' version 179, 8-byte format) | [zrolfs](https://github.com/zrolfs) | https://github.com/ethanbass/chromConverter/issues/22 | -- |

chemstation_179_asterix.ch | 'Agilent ChemStation' ('Asterix' version 179, 4-byte format) | [PyExpLabSys](https://github.com/CINF/PyExpLabSys) | https://github.com/CINF/PyExpLabSys/tree/master/tests/functional_test/fileparsers/test_chemstation/def_GC%202015-01-13%2011-16-24/NV-F0101.D | GPL3 |

chemstation_181.D | 'Agilent ChemStation' ('Asterix' version 181) | [GC2ASM](https://github.com/ifpen/GC2ASM) | https://github.com/ifpen/GC2ASM/tree/public/src/test/resources/V181.D | [CECILL-2.1](https://github.com/ifpen/GC2ASM?tab=CECILL-2.1-1-ov-file#readme) |

chemstation_MSD.MS | 'Agilent ChemStation' (.MS) | [Roderick Bovee](https://github.com/bovee/) | https://github.com/bovee/entab/tree/main/entab/tests/data/carotenoid_extract.d | MIT (c) 2014 Roderick Bovee |

openlab_131.ch | 'Agilent OpenLab' (version 131) |[anyaling2022](https://github.com/anyaling2022) | https://github.com/evanyeyeye/rainbow/issues/3 | -- |

openlab_179.ch | 'Agilent OpenLab' (version 179) |[YADG: yet another datagram](https://github.com/dgbowl/yadg) | https://github.com/dgbowl/yadg/blob/master/tests/test_chromtrace/extracted-3487d194-9155-4f79-8f11-dbd18ce53187.CH | GPL3 |

chromeleon_comma.txt |  'Thermo Fisher Scientific Chromeleon' (comma-separated decimals) | [TRACEview](https://github.com/angelovangel/TRACEview) | https://github.com/angelovangel/TRACEview/blob/master/HPLC-example-files.zip | MIT (c) 2017 Angel Angelov |

chromeleon_period.txt | 'Thermo Fisher Scientific Chromeleon' (period-separated decimals) | This file was produced by altering the comma-separated file above | -- | MIT (c) 2017 Angel Angelov |

DCM1.SMS | 'Varian Workstation' SMS | Ethan Bass | -- | CC0 |

STRD15.SMS | 'Varian Workstation' SMS | Ethan Bass | -- | CC0 |

STRD15.mzML | The above chromatogram in mzML (converted by OpenChrom) | Ethan Bass | -- | CC0 |

masshunter.d | 'Agilent' Masshunter DAD (.D) | [Roderick Bovee](https://github.com/bovee/) | https://github.com/bovee/entab/tree/main/entab/tests/data/masshunter_example | MIT (c) 2014 Roderick Bovee |

varian_peaklist.csv | 'Varian' Peak List Summary File | Ethan Bass | -- | CC0 |

VARIAN1.CDF | "ANDI" (Analytical Data Interchange) chrom (.cdf) | [Randy Julian](https://sourceforge.net/u/rkjulian/profile/) | https://sourceforge.net/projects/andi/ | [LGPLv2](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.en.html) |

HP_MS.CDF | "ANDI" (Analytical Data Interchange) MS (.cdf) | [Randy Julian](https://sourceforge.net/u/rkjulian/profile/) | https://sourceforge.net/projects/andi/ | [LGPLv2](https://www.gnu.org/licenses/old-licenses/lgpl-2.1.en.html) |

waters_blue.raw | 'Waters' RAW (.raw) | [rainbow](https://github.com/evanyeyeye/rainbow/tree/main) | https://github.com/evanyeyeye/rainbow/tree/main/tests/inputs/blue.raw | GPL3|

waters_pda.arw | 'Waters' PDA (.arw) | [Carla Restrepo](https://github.com/crestre)  | https://github.com/ethanbass/chromatographR/issues/26 | -- |

waters.arw | 'Waters' UV (.arw) | [Appia](https://github.com/PlethoraChutney/Appia) | https://github.com/PlethoraChutney/Appia/tree/main/test-files | MIT (c) 2021 Richard Posert |