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Test Data #44

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LucasSchmidt97 opened this issue Nov 9, 2017 · 5 comments

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LucasSchmidt97 commented Nov 9, 2017

Integrate test data into R package
- Test data should be filled with good spectra and special cases

LucasSchmidt97 self-assigned this

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LucasSchmidt97 commented Nov 9, 2017 •

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What could we plot?

Single Mass Spectra (before and after deisotoping and vs pd deconvolution)
Graphs of single Isotopic Sets with plot of Isotopic Sets
Statistics of whole MSM

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LucasSchmidt97 commented Nov 10, 2017

Differences between the plots/comparision

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LucasSchmidt97 commented Nov 13, 2017 •

edited

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Take 5 spectra out of every quantile

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LucasSchmidt97 commented Nov 13, 2017 •

edited

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Quantile:

Spectra Nr: 21369, 22316, 15078, 22953, 14987
Spectra Nr: 2270, 11881, 15609, 5702, 13056
Spectra Nr: 1737, 3681, 3971, 7988, 7988
Spectra Nr: 2496, 8951, 624, 2117, 18394

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LucasSchmidt97 commented Nov 13, 2017

Adjust vignettes to good test data

LucasSchmidt97 added the enhancement label

LucasSchmidt97 added the R label

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