add positive flag for correlation analysis and update pandas data fra… #15
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…y and tests/test_statistics.py
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This the last commit from branch 'wl'. |
RJMW
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May 12, 2023
* Add "positive" flag for correlation analysis and update pandas data fra… (#15) * Add check box to GUI for "filtering" positive correlations * Update CLI for neutral losses * Update GitHub actions and configs (#17) * Update README.rst (Minor) --------- Co-authored-by: Wanchang Lin <wanchang_lin@outlook.com>
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Dear Ralf,
I have pushed branch
wlinto yourbeamspy. The changes are:statistics.py: change functioncorrelation_coefficientswith newargument
positive(default is True) and update data frame combinationwith new functions (prevent warnings). So the default correlation
coefficient is positive only otherwise is both positive and negative.
grouping.py: add argumentpositive=Trueto functiongroup_features.in_out.py: update functioncombine_peaklist_matrixwith newpandasfeature to avoid warning.
__main__.py: add argumentpositvetogroup_features.run.py,run.shandexamples.ipynb: add argumentpositvetogroup_features.data/adducts.txt,data/isotopes.txt,data/multiple_charged_ions.txtand
data/neutral_losses.txt: remove^Mwith commandsed -r "s/\r/\n/g"I have not made any changes for rest of the
beamspy.Best regards,
wl