refactor rawDiag::readXICs(rawfile, masses=unique(RAW$Precur

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readChromatogram(...) about rawrr HOT 5 CLOSED

fgcz commented on September 4, 2024

readChromatogram(...)

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Comments (5)

tobiasko commented on September 4, 2024

Our old readXIC method did not support Chromatograms for UV, PDA, and Analog detectors (other detectors than MS). Is that correct @cpanse? Due to requests like fgcz/rawDiag#61 we should think about supporting this in the future.

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tobiasko commented on September 4, 2024

This would mean that the detector becomes an additional attribute of the function.

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cpanse commented on September 4, 2024

at least we should have that in mind to add this functionality later. C

…

On Fri, Aug 28, 2020 at 2:35 PM Tobias Kockmann ***@***.***> wrote: This would mean that the detector becomes an additional attribute of the function. — You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub <#1 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABFMYYZV3FIRG2DWGHZB6KDSC6QB5ANCNFSM4QKMPDBA> .

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tobiasko commented on September 4, 2024

@cpanse How would I instruct readChromatogram to return a TIC or BPC instead of an XIC?

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cpanse commented on September 4, 2024

cp@lilith:~/__checkouts/R/rawR  (master)> mono exec/rawR.exe ~/Downloads/20181113_010_autoQC01.raw chromatogram ms2|cat -n|head
     1	# TIC chromatogram (20886 points)
     2	# Base Peak chromatogram (20886 points)
     3	# MassRange chromatogram (20886 points)
     4	rt,intensity.BasePeak,intensity.TIC,intensity.MassRange
     5	0.007,2958,22506,18929
     6	0.008,2935,27142,23437
     7	0.010,11758,62303,58274
     8	0.011,3062,50225,43532
     9	0.013,3045,44352,38631
    10	0.014,3134,45077,40341

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