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PNNL-Comp-Mass-Spec / LIQUID

Software tool for identifying lipids in LC-MS/MS-based lipidomics data
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Exporting MS/MS matches with the results #4

Open kkhatri99 opened 7 years ago

kkhatri99 commented 7 years ago

Is there any way to export the matched MS/MS peaks in the results as tabular/delimited text?

GrantFujimoto commented 7 years ago

Currently the MS/MS peaks are not reported, however it is possible to have them included. What is your use case of this information? The graphical user interface visually annotates the MS/MS peaks for you. Also, adding the whole list of identified peaks to the tab output could take away from its readability.

kkhatri99 commented 7 years ago

Hi,

I am trying to do some post-processing using the LIQUID matches and plan to correlate this information with the quantitative assays (MRM), so I'd like to export the information that is displayed through the GUI- Target lipid info, Observed info, MS/MS peaks, theoretical MS/MS (if possible), Retention time (start/end scan numbers), etc. Would it be possible to export some or all of this information to a text file or database.

Thanks, Kshitij Khatri

On Tue, Jul 18, 2017 at 4:38 PM, GrantFujimoto notifications@github.com wrote:

Currently the MS/MS peaks are not reported, however it is possible to have them included. What is your use case of this information? The graphical user interface visually annotates the MS/MS peaks for you. Also, adding the whole list of identified peaks to the tab output could take away from its readability.

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