Mercurial > repos > galaxyp > msi_qualitycontrol
comparison msi_qualitycontrol.xml @ 7:b86a66dd1a16 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_qualitycontrol commit dd64f41874a56c4e2619bf58ae3681d806cf9b3f
| author | galaxyp |
|---|---|
| date | Tue, 08 May 2018 02:36:43 -0400 |
| parents | 5c63fe03ed9e |
| children | 52ef77866de8 |
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| 6:5c63fe03ed9e | 7:b86a66dd1a16 |
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| 574 differencevector[mass] = ppmdifference } | 574 differencevector[mass] = ppmdifference } |
| 575 differencevector = round(differencevector, digits=2) | 575 differencevector = round(differencevector, digits=2) |
| 576 | 576 |
| 577 ### plot the ppm difference theor. mz value to closest mz value: | 577 ### plot the ppm difference theor. mz value to closest mz value: |
| 578 | 578 |
| 579 calibrant_names = as.character(calibrant_list[,2]) | 579 calibrant_names = as.character(inputcalibrants[,2]) |
| 580 diff_df = data.frame(differencevector, calibrant_names) | 580 diff_df = data.frame(differencevector, calibrant_names) |
| 581 diff_plot<-ggplot(data=diff_df, aes(x=calibrant_names, y=differencevector)) + geom_col() + theme_minimal() + | 581 diff_plot<-ggplot(data=diff_df, aes(x=calibrant_names, y=differencevector)) + geom_col() + theme_minimal() + |
| 582 labs(title="Theoretical calibrant mz vs. closest measured mz", x="calibrants", y = "Difference in ppm")+ | 582 labs(title="Theoretical calibrant mz vs. closest measured mz", x="calibrants", y = "Difference in ppm")+ |
| 583 geom_text(aes(label=differencevector), vjust=-0.3, size=3.5, col="blue") | 583 geom_text(aes(label=differencevector), vjust=-0.3, size=3.5, col="blue") |
| 584 | 584 |