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michaelmarty / UniDec

Universal Deconvolution of Mass and Ion Mobility Spectra
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Unable to output the DScore for each deconvoluted mass #84

Closed Dondonn closed 1 year ago

Dondonn commented 1 year ago

I couldn't find a way to get the DScore for each deconvoluted mass from UniDec. The _error.txt file contains only the Uniscore but not the DScore; is there a function, parameter, or way to output the DScore for each deconvoluted mass? Or is it the second column in the _mass.txt file? (Probably not)

Hope someone can help with this issue. Thanks!

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michaelmarty commented 1 year ago

Thanks for reaching out! Currently, the easiest way to do this is to right click on the peak panel and select "Copy All Full". You can then paste the results into a spreadsheet, where DScore will be a column. But, I should also add it as an export on the peakparam.dat file. I'll get to work on that! Thanks!

michaelmarty commented 1 year ago

Ok, it's fixed for the next version. When it gets posted, you can uses "Analysis > Export Peaks Parameters and Data" to export a peakparams.dat file with it in it. Until then, you can use the copy all trick from the comment above. Thanks!