Comments (1)
If the mzML files were created with msconvert and were also centroided you should get a TRUE
for all spectra when you call centroided(data)
(with data
being your files read with readMSData(files, mode = "onDisk"
). centroided
will read this information from the mzML files, and msconvert writes this information into the mzML files when it does centroiding.
Maybe you can also check your files again following this example - and eventually also doing the centroiding - if needed - in R.
If your data is indeed centroided then you can safely ignore this warning message (it's not an error, it's just a warning). If no centroiding information is available for a data set (i.e. centroided
returns NA
for all spectra) then xcms
uses some random spectra from the data to guess whether the data might be centroided or not - and that might not always be correct.
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Related Issues (20)
- Need all chromatograms in particular sample HOT 1
- Build error invalid class "MsBackendMzR" object: slots not in object: "peaksVariables" HOT 2
- Build failure on arm/Linux HOT 2
- Properly serialize an xcms result object to disk/files HOT 21
- do_findChromPeaks_centWave returns wrong maxo and int* values HOT 3
- findChromPeaks finds duplicate peaks HOT 1
- No method to convert XcmsExperiment to xcmsSet - Version 3.99.5 HOT 1
- xcmsSet interface gives errors HOT 10
- Batch effect correction without QC sample HOT 1
- Definition of anchor peaks for subset-based peakGroups alignment not correct HOT 1
- Vignette: avoid "data" as object name HOT 2
- Add a function that calculates peak quality metrics for detected peaks HOT 10
- Add tests for some ion mobility files HOT 1
- negative subsetting removes chromPeaks
- How would a larger peak width vs smaller peak width affect m/z of features detected? HOT 1
- Error in (function (classes, fdef, mtable) : unable to find an inherited method for function ‘findChromPeaks’ for signature ‘"XMLDocument", "MatchedFilterParam"’ HOT 2
- why do_groupChromPeaks_density processing peaks with fixed size of the overlapping slices in mz dimension HOT 17
- Retention time alignment using PeakGroupsParam's peakGroupsMatrix parameter renders error HOT 10
- Trouble extracting chromatogram plots after manualChromPeaks() HOT 5
- Seeking advices about data importing HOT 5
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from xcms.