Code

timsTOF support#148

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Merged

picciama merged 24 commits intodevelopmentwilhelm-lab/oktoberfest:developmentfrom feature/timsTOFwilhelm-lab/oktoberfest:feature/timsTOFCopy head branch name to clipboardNov 13, 2023

+30,810-30,573

Commits

Commits on Oct 24, 2023

• added plotting function for ransac ce calib

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Commits on Oct 25, 2023

• directly provide title for ransac plot

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  476f8b1

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• add functionality to read from pkl file

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  69da389

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• added ce_calib options to config

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• added ransac model and pkl support

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  aa4c030

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• support custom ce_range and group by charge

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• refactor convert_spectra_to_mzml

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• added information about new ce_calibration options

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  57e0f5d

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• fixed mypy issues

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Commits on Oct 31, 2023

• fixed ransac model fitting and plotting

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  796a03d

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• fixed wrong config key name

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  5ff05c9

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• Merge branch 'development' into feature/timsTOF

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Commits on Nov 11, 2023

• Merge branch 'development' into feature/timsTOF

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  17161fc

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Commits on Nov 12, 2023

• bugfix, cleanup and optimization:

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• pickle issue resolved by wrapping exceptions

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  87a1adc

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• optimize/fix _get_best_ce:

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• temporary dirty fix for mismatched RT column name

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Commits on Nov 13, 2023

• correct the wrong job type

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  92e1eba

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• fix ce_calib with one process not in pool

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  62cc782

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• remove files when done

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  6d46383

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• added test for ce_calib with runner and ransac

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  6f7bddc

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• fixed typeguard issues

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  37d094d

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• properly remove created folders after unit tests

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• added time delay for windows

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