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matchms_filtering: Added derive_precursor_mz_from_parent_mass filter #475

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merged 5 commits into from
Dec 14, 2023

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zargham-ahmad
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@zargham-ahmad zargham-ahmad commented Dec 11, 2023

This PR includes the following:

  • Added derive_precursor_mz_from_parent_mass filter
  • Added test and testdata
  • bump galaxy version

Note: I had to convert parent_mass explicitly to float before applying the filter otherwise, matchms was giving the error.

closes #457

@zargham-ahmad zargham-ahmad requested a review from hechth December 11, 2023 16:26
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hechth commented Dec 12, 2023

@zargham-ahmad the conversion to int can't be there as the mass can also be a non integer number. Does it work when converting to float? Otherwise we need to see in more detail what the problem is.

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@zargham-ahmad the conversion to int can't be there as the mass can also be a non integer number. Does it work when converting to float? Otherwise we need to see in more detail what the problem is.

yes, it seems to work with converting to float

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looks good

@hechth hechth merged commit 98223db into RECETOX:master Dec 14, 2023
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Add derive_precursor_mz_from_parent_mass to matchms filtering
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