Plot Shimadzu Spectra Rundown

Import Files

A2 <-read.csv('A2.csv',header=FALSE)
A3 <-read.csv('A3.csv',header=FALSE)

A2$V3<-'Standard Digest'
A3$V3<-'Experimental Digest'
A2 <-A2[,1:3]
A3 <-A3[,1:3]
ms_data <- rbind(A2,A3)
names(ms_data)<-c('mz','Intensity','Sample')

create a basic scatter plot with points

library(tidyverse)

## ── Attaching core tidyverse packages ──────────────────────── tidyverse 2.0.0 ──
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## ── Conflicts ────────────────────────────────────────── tidyverse_conflicts() ──
## ✖ dplyr::filter() masks stats::filter()
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## ℹ Use the conflicted package (<http://conflicted.r-lib.org/>) to force all conflicts to become errors

ggplot(ms_data, aes(x= mz,y=Intensity))+
  geom_point(aes(colour = Sample))+
  scale_color_manual(values=c("#f7dc6f","#5499c7"))+
  xlab("m/z Ratio")+ ylab("Millivolts")+
  theme(legend.position = "bottom")

#Create Column Plot with points

library(tidyverse)
ggplot(ms_data, aes(x= mz,y=Intensity))+
  geom_col(aes(colour = Sample,fill= Sample))+
  scale_color_manual(values=c("#f7dc6f","#5499c7"))+
  scale_fill_manual(values=c("#f7dc6f","#5499c7"))+
  xlab("m/z Ratio")+ ylab("Millivolts")+
  theme(legend.position = "bottom")

#Find peaks with Identical m/z

matchSpectra <- merge(A2,A3, by= "V1")
write.csv(matchSpectra,"matchSpectra.csv")