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Option to save chromatogram from emzed2 table file #20

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manohar8 opened this issue Aug 23, 2018 · 2 comments
Open

Option to save chromatogram from emzed2 table file #20

manohar8 opened this issue Aug 23, 2018 · 2 comments

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@manohar8
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Hello developers,
I have generated .table file with emzed2 for a LCMS dataset. I wish to save the chromatogram in the attached file (please find below) as a separate image file (for communication purpose). Is there a way to do that through emzed2?
Please let me know.

Thanks,
Manohar
xic

@uweschmitt
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uweschmitt commented Aug 23, 2018

This can not be done in the user interface directly.

The PeakMap object has a method chromatogram(see here).

The solution would be to iterate over the rows of your table. During each iteration extract rt and mz limits and the peakmap to compute the actual chromatogram.

@manohar8
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Thank you very much. I am unable to define rt and mz limits for the feature in earlier image. Can you share a example code for the same?
Like if I have to extract Succinate with following details
mzmin =116.98
mzmax =117.03
rtmin = 10.94
rtmax = 11.78

Manohar

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