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Parse precursor charge specified in PEPMASS (override CHARGE) #154

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merged 2 commits into from
Jul 29, 2024

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levitsky
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Fixes #153.
The PEPMASS line in MGF can now contain up to 3 numbers, the last one being the precursor charge. If the charge is given on the PEPMASS line, it overrides CHARGE in case the latter is present.

@ypriverol
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@levitsky do you think this will be merged soon?

@levitsky
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@ypriverol I can merge it any time! Would you like to test it before I do?
I made my own little test file but I haven't tested on any real-world data.

@ypriverol
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@levitsky I have sent you the file examples by slack in EuBIC channel.

@levitsky levitsky merged commit 69b8cfa into master Jul 29, 2024
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@levitsky
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Seems to work for me, please feel free to flag any issues.

@sureshhewabi
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@levitsky Great! Many Thanks. Could you please release a new version in pypi? (I still see pyteomics 4.7.2 as the latest)
https://pypi.org/project/pyteomics/

@levitsky
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@sureshhewabi @ypriverol version 4.7.3 is released.

@levitsky levitsky deleted the fix/mgf-pepmass branch July 30, 2024 09:30
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Mascot MGF parsing error
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