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Using CAMERA for non-LC data with no retention time and importing peaklists directly into CAMERA #37

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etrh opened this issue Jun 18, 2019 · 2 comments

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@etrh
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etrh commented Jun 18, 2019

Is it possible to use CAMERA on data that has no retention time axis? For example, DI-MS and MALDI data? Would it work to create a fake retention time axis with only one value? And is it possible to import peaklists directly into CAMERA without going through peak detection via XCMS?

Any input would be appreciated to give me some idea how to programme this.

@sneumann
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Hi, yes, technically this can be done:

  1. Data needs to be in an xcmsSet (or XCMSnExp converted to xcmsSet), I don't have an example at hand,
    but there could be some on the net. xs <- new(xcmsSet; peaks(xs) <- data.frame(with_your_peaks).
  2. without real MS data you have to skip correlation with peakshape in groupCorr().
    Yours, Steffen

@stanstrup
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I have mzmine2xcmsSet in https://gitlab.com/R_packages/chemhelper that might inspire you.
That coerses a table from MzMine to an xcmsSet object.

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