CoreMS 3.0.1__tar.gz → 3.0.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {CoreMS-3.0.1 → CoreMS-3.0.2}/CoreMS.egg-info/PKG-INFO +4 -4
- {CoreMS-3.0.1 → CoreMS-3.0.2}/CoreMS.egg-info/SOURCES.txt +0 -2
- {CoreMS-3.0.1 → CoreMS-3.0.2}/PKG-INFO +4 -4
- {CoreMS-3.0.1 → CoreMS-3.0.2}/README.md +3 -3
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/__init__.py +1 -1
- {CoreMS-3.0.1 → CoreMS-3.0.2}/setup.py +1 -1
- {CoreMS-3.0.1 → CoreMS-3.0.2}/CoreMS.egg-info/dependency_links.txt +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/CoreMS.egg-info/requires.txt +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/CoreMS.egg-info/top_level.txt +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/Dockerfile +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/LICENSE +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/MANIFEST.in +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/chroma_peak/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/chroma_peak/calc/ChromaPeakCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/chroma_peak/calc/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/chroma_peak/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/chroma_peak/factory/chroma_peak_classes.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/constant.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/factory/parameters.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/factory/processingSetting.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/input/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/input/parameter_from_json.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/output/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/output/parameter_to_dict.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/encapsulation/output/parameter_to_json.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/calc/GC_Calc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/calc/GC_Deconvolution.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/calc/GC_RI_Calibration.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/calc/MZSearch.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/calc/SignalProcessing.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/calc/__init__.py +0 -0
- /CoreMS-3.0.1/corems/mass_spectra/calc/LC_Calc.py → /CoreMS-3.0.2/corems/mass_spectra/calc/lc_calc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/factory/GC_Class.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/factory/chromat_data.py +0 -0
- /CoreMS-3.0.1/corems/mass_spectra/factory/LC_Class.py → /CoreMS-3.0.2/corems/mass_spectra/factory/lc_class.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/andiNetCDF.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/boosterHDF5.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/brukerSolarix.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/corems_hdf5.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/massList.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/mzml.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/parserbase.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/input/rawFileReader.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/output/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectra/output/export.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/AutoRecalibration.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/Calibration.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/CalibrationCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/KendrickGroup.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/MassErrorPrediction.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/MassSpectrumCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/MeanResolvingPowerFilter.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/NoiseCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/NoiseCalc_Bayes.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/PeakPicking.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/calc/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/factory/MassSpectrumClasses.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/input/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/input/baseClass.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/input/boosterHDF5.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/input/coremsHDF5.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/input/massList.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/input/numpyArray.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/output/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/mass_spectrum/output/export.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/calc/MolecularFormulaCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/calc/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/factory/MolecularFormulaFactory.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/input/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_formula/input/masslist_ref.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/calc/ClusterFilter.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/calc/MolecularFilter.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/calc/SpectralSimilarity.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/calc/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/calc/math_distance.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/EI_SQL.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/MolecularLookupTable.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/classification.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/lipid_molecular_metadata.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/molecularSQL.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/factory/spectrum_search_results.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/input/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/input/nistMSI.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/compoundSearch.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/database_interfaces.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/findOxygenPeaks.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/lcms_spectral_search.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/molecularFormulaSearch.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/molecular_id/search/priorityAssignment.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/ms_peak/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/ms_peak/calc/MSPeakCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/ms_peak/calc/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/ms_peak/factory/MSPeakClasses.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/ms_peak/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/calc/TransientCalc.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/calc/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/factory/TransientClasses.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/factory/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/input/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/input/brukerSolarix.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/corems/transient/input/midasDatFile.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/disclaimer.txt +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ChemstationMSFileReader.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ChemstationMSFileReader.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/RawFileReaderLicense.doc +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.BackgroundSubtraction.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.BackgroundSubtraction.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.Data.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.Data.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.MassPrecisionEstimator.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.MassPrecisionEstimator.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.RawFileReader.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/ThermoFisher.CommonCore.RawFileReader.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/__init__.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/OpenMcdf.Extensions.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/OpenMcdf.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/OpenMcdf.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/System.IO.FileSystem.AccessControl.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/System.IO.FileSystem.AccessControl.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/System.Security.AccessControl.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/System.Security.AccessControl.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/System.Security.Principal.Windows.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/System.Security.Principal.Windows.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.BackgroundSubtraction.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.BackgroundSubtraction.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.Data.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.Data.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.MassPrecisionEstimator.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.MassPrecisionEstimator.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.RawFileReader.dll +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.RawFileReader.xml +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/version +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/requirements.txt +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/setup.cfg +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_calibration.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_classification.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_gcms.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_input.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_mass_spectrum.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_mass_spectrum_export_import.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_molecular_formula.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_molecular_formula_db_factory.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_molecular_formula_search.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_mspeak.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_output.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_search_mass_list.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_setting_settings.py +0 -0
- {CoreMS-3.0.1 → CoreMS-3.0.2}/tests/test_wf_lipidomics.py +0 -0
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Yuri E. Corilo, William R. Kew, Lee Ann McCue, Katherine R . Heal, James C. Carr (2024, October 29). EMSL-Computing/CoreMS: CoreMS 3.0.2 (Version v3.0.2), as developed on Github. Zenodo. http://doi.org/10.5281/zenodo.14009575
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353
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354
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-
Version [3.0.
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354
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+
Version [3.0.2 Release on GitHub](https://github.com/EMSL-Computing/CoreMS/releases/tag/v3.0.2), archived on Zenodo:
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355
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[](https://doi.org/10.5281/zenodo.14009575)
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358
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-
Yuri E. Corilo, William R. Kew, Lee Ann McCue, Katherine R . Heal, James C. Carr (2024, October 29). EMSL-Computing/CoreMS: CoreMS 3.0.
|
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358
|
+
Yuri E. Corilo, William R. Kew, Lee Ann McCue, Katherine R . Heal, James C. Carr (2024, October 29). EMSL-Computing/CoreMS: CoreMS 3.0.2 (Version v3.0.2), as developed on Github. Zenodo. http://doi.org/10.5281/zenodo.14009575
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359
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```
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@@ -49,7 +49,7 @@ CoreMS aims to provide
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49
49
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## Current Version
|
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51
51
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52
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-
`3.0.
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+
`3.0.2`
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53
53
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54
54
|
***
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55
55
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@@ -335,11 +335,11 @@ UML (unified modeling language) diagrams for Direct Infusion FT-MS and GC-MS cla
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335
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If you use CoreMS in your work, please use the following citation:
|
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337
337
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|
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338
|
-
Version [3.0.
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338
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+
Version [3.0.2 Release on GitHub](https://github.com/EMSL-Computing/CoreMS/releases/tag/v3.0.2), archived on Zenodo:
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339
339
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340
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[](https://doi.org/10.5281/zenodo.14009575)
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342
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-
Yuri E. Corilo, William R. Kew, Lee Ann McCue, Katherine R . Heal, James C. Carr (2024, October 29). EMSL-Computing/CoreMS: CoreMS 3.0.
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342
|
+
Yuri E. Corilo, William R. Kew, Lee Ann McCue, Katherine R . Heal, James C. Carr (2024, October 29). EMSL-Computing/CoreMS: CoreMS 3.0.2 (Version v3.0.2), as developed on Github. Zenodo. http://doi.org/10.5281/zenodo.14009575
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```
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@@ -14,7 +14,7 @@ with open('requirements.txt') as f:
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# This call to setup() does all the work
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setup(
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name="CoreMS",
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|
-
version="3.0.
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|
+
version="3.0.2",
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|
description="Mass Spectrometry Framework for Small Molecules Analysis",
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long_description=long_description,
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long_description_content_type="text/markdown",
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{CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.BackgroundSubtraction.dll
RENAMED
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{CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.BackgroundSubtraction.xml
RENAMED
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{CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.MassPrecisionEstimator.dll
RENAMED
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{CoreMS-3.0.1 → CoreMS-3.0.2}/ext_lib/dotnet/ThermoFisher.CommonCore.MassPrecisionEstimator.xml
RENAMED
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