Input .mzXML file, but nothing happened, formular annotation on "MS1 only" supported? #34
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Hey, We will support this in the future in the command line tool. Support in the GUI might be possible but needs to be discussed. |
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Hi Markus: Thanks very much for your quick reply. We also did MS2 on some of the manually selected features from the MS1 run, and converted into mzXML files. I tried and however they cannot be loaded successfully either. Is it because they are not data dependent MS2? If I want to use Sirius/Zodiac to perform formula annotations of these selected peaks, how do I need to prepare/convert the data into the right input format? |
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Could you post the output of the Log window? Have you already seen these tutorials? |
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Yes, the log says its not centroided data. I used Rawconverter to convert the MS2 data into mzXML, maybe some settings are not correct. Now, I use MSconvert to convert the data and it works. |
…'master' Resolve "Remove "chemical entity" from compound classses" Closes #34 See merge request bright-giant/sirius/sirius-libs!13
…mono-repo' into 'master' Resolve "Merge sirius-libs into sirius-frontend to create a mono repo." Closes #300, #132, #126, #123, #128, #125, #127, #124, #122, #121, #120, #109, #115, #106, #99, #112, #111, #61, #110, #103, #108, #107, #104, #221, #102, #98, #198, #92, #94, #93, #85, #84, #87, #76, #56, #73, #32, #70, #65, #43, #63, #33, #53, #58, #59, #57, #54, #52, #41, #47, #50, #49, #48, #39, #46, #37, #38, #27, #34, #22, #31, #28, #18, #23, #21, #19, #9, #240, #280, #254, #242, #246, #238, #156, #25, #155, #189, #172, #154, #11, #6, #16, and #4 See merge request bright-giant/sirius/sirius-frontend!106
I tried to load my .mzXML Data in Sirius, but no peak list was shown on the left side.
LC-MS .raw data was taken on QE, consisting of MS1 scan only, and was converted to .mzXML by ProteoWizard.
I'm wondering if Sirius can annotate MS1 data without fragmentation info provided? and is this (MS1 only) the cause of the problem (not loaded successfully)?
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