Mercurial > repos > galaxyp > msi_qualitycontrol

comparison msi_qualitycontrol.xml @ 7:ae9d7703ff27 draft

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_qualitycontrol commit dd64f41874a56c4e2619bf58ae3681d806cf9b3f
author galaxyp
date Tue, 08 May 2018 02:36:02 -0400
parents c54e7284ff31
children 42d010294f0b
comparison
equal deleted inserted replaced
6:c54e7284ff31 7:ae9d7703ff27
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