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tobiasko avatar tobiasko commented on September 27, 2024 1

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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cpanse avatar cpanse commented on September 27, 2024 1
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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tobiasko avatar tobiasko commented on September 27, 2024

Just Pushed a new plot function to repo that uses proper xlims and is capable of relative and abs. plotting.

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tobiasko avatar tobiasko commented on September 27, 2024

I just added a peak labeling for the most intense peak in plot.rawRspectrum(centroid = TRUE, legend = FALSE):

image

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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cpanse avatar cpanse commented on September 27, 2024

plotSN-1
plot rawRspectrum-1

DONE

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