inst/doc/Example_RT_distribution.R

In flowTraceR: Tracing Information Flow for Inter-Software Comparisons in Mass Spectrometry-Based Bottom-Up Proteomics

## ----include = FALSE----------------------------------------------------------
knitr::opts_chunk$set(
  collapse = TRUE,
  comment = "#>"
)


## ----setup, message = FALSE, warning = FALSE----------------------------------
library(flowTraceR)
library(magrittr) 
library(dplyr)
library(tidyr)
library(stringr)
library(tibble)
library(ggplot2)

## ----get example data - retention time----------------------------------------
# Get example data
diann <- flowTraceR::get_example("RetentionTime")[["DIA-NN"]]
spectronaut <- flowTraceR::get_example("RetentionTime")[["Spectronaut"]]


## ----all levels---------------------------------------------------------------
# Convert all levels
diann_all_converted <- flowTraceR::convert_all_levels(input_df = diann, software = "DIA-NN")
spectronaut_all_converted <- flowTraceR::convert_all_levels(input_df = spectronaut, software = "Spectronaut")


## ----RT-without-flowTraceR----------------------------------------------------
#Example - DIA-NN output

#Get common entries based on software-specific entries
diann_common <- dplyr::semi_join(
  diann_all_converted,
  spectronaut_all_converted,
  by = c("Precursor.Id" = "EG.PrecursorId"))

#Get unique entries based on software-specific entries
diann_unique <- dplyr::anti_join(
  diann_all_converted,
  spectronaut_all_converted,
  by = c("Precursor.Id" = "EG.PrecursorId"))

#Connect
diann_all <- dplyr::bind_rows(
  common = diann_common,
  unique = diann_unique,
  .id = "characteristic")

#Plot 
#no common entries detected!
ggplot2::ggplot(diann_all, aes(x = RT, color = characteristic)) + 
  geom_density() +
  scale_x_continuous(limits = c(0,115))


## ----RT-with-flowTraceR-------------------------------------------------------
#Example - DIA-NN output

#Get common entries based on flowTraceR´s entries
diann_common_traceR <- dplyr::semi_join(
  diann_all_converted,
  spectronaut_all_converted,
  by = c("traceR_precursor"))

#Get unique entries based on flowTraceR´s entries
diann_unique_traceR <- dplyr::anti_join(
  diann_all_converted,
  spectronaut_all_converted,
  by = c("traceR_precursor"))

#Connect
diann_traceR <- dplyr::bind_rows(
  common = diann_common_traceR,
  unique = diann_unique_traceR,
  .id = "characteristic")

#Plot
ggplot2::ggplot(diann_traceR, aes(x = RT, color = characteristic)) + 
  geom_density() + 
  scale_x_continuous(limits = c(0,115))

## ----inter-software-common----------------------------------------------------
#Spectronaut - common entries
spectronaut_common_traceR <- dplyr::semi_join(
  spectronaut_all_converted,
  diann_all_converted,
  by = c("traceR_precursor")) %>% 
  dplyr::rename(RT = EG.ApexRT)

#Common combined
RT_common <- dplyr::bind_rows(
  "DIA-NN" = diann_common_traceR[,"RT"],
  Spectronaut = spectronaut_common_traceR[, "RT"],
  .id = "Software")

#Plot
ggplot2::ggplot(RT_common, aes(x = RT, color = Software)) + 
  geom_density() +
  scale_x_continuous(limits = c(0,115))

## ----inter-software-unique----------------------------------------------------
#Spectronaut unique entries
spectronaut_unique_traceR <- dplyr::anti_join(
  spectronaut_all_converted,
  diann_all_converted,
  by = c("traceR_precursor")) %>% 
  dplyr::rename(RT = EG.ApexRT)

#Unique entries combined
RT_unique <- dplyr::bind_rows(
  "DIA-NN" = diann_unique_traceR[,"RT"],
  Spectronaut = spectronaut_unique_traceR[, "RT"],
  .id = "Software"
)

#Plot
ggplot2::ggplot(RT_unique, aes(x = RT, color = Software)) + 
  geom_density() +
  scale_x_continuous(limits = c(0,115))