Comments (5)
I added a first draft of a plot.rawRspectrum()
function yesterday. I realized we still need the following attributes in rawRspectrum for better plotting:
- Total Ion Current
- Scan Low Mass
- Scan High Mass
- Base Peak Intensity
- Base Peak Mass
once these become available I would add options/parameters for relative/abs. plotting and further visualizations for centroid attributes. Talking of centroid attributes. The peak resolution is also still missing, as well as peak flags.
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R> S[[1]]$massRange
[1] 350 1800
R> S[[1]]$TIC
[1] 78725448
R> S[[1]]$basePeak
[1] 445.1181 5979308.0000
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Just Pushed a new plot function to repo that uses proper xlims and is capable of relative and abs. plotting.
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I just added a peak labeling for the most intense peak in plot.rawRspectrum(centroid = TRUE, legend = FALSE)
:
Problems:
- We are still missing the Resolution of centroided peaks, so I can't add it.
- Not sure how to best place the legend relative to the peaks (they easily end up outside the plot region. Maybe you have a better idea, @cpanse!
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DONE
from rawrr.
Related Issues (20)
- Get information on gradient HOT 1
- Enhancement - Complete readIndex() function HOT 9
- Peak charges for MS1 spectras HOT 4
- Spectrum scan centroid mZ, intensity and noises values do not match HOT 2
- Error in Example: Length of "x" and "y" are not matching HOT 3
- Read noise value for profile mode mass spectra HOT 4
- Read_Spectrum - Sum Spectra
- unit should be minute / auc computation in seconds HOT 24
- validate_rawrrSpectrum 'StartTime' HOT 4
- "Error: line 1 did not have 9 elements" for readIndex() and readChromatogram() + "Error : No scan vector is provided"for readSpectrum HOT 9
- Problem executing readChromatogram inside Singularity container HOT 5
- Add a check if `input` file exists and is not empty
- Error in if (rvs != "No RAW file specified!") { : the condition has length > 1 HOT 16
- Switch to RawFileReader 5.0.93 HOT 2
- different total number of Spectra in msconvert, compomics/ThermoRawFileParser and thermofisherlsms/RawFileReader HOT 2
- Request for auc.rawrrChromatogram HOT 3
- profile mode in readSpectrum HOT 11
- speed up readIndex/readSpectrum by base::textConnection HOT 14
- rawrr::buildRawrrExe() fails HOT 6
- auc.rawrrChromatogram question
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