ms_dial_filter function

library(tidyverse)

ms_dial_filter <- function(df, adduct, annotatelevel, cv) {
  df %>% dplyr::select(`Metabolite name`, `Adduct type`, `Annotation tag (VS1.0)`, `Total score`,
                       `RT similarity`, `Average Rt(min)`, INCHIKEY , 33:ncol(df)) %>%
    filter(`Annotation tag (VS1.0)` %in% annotatelevel) %>%
    filter(`Adduct type` %in% adduct) %>% 
    mutate(qc_mean = rowMeans(dplyr::select(., contains("QC")))) %>% 
    filter(qc_mean != 0) %>% 
    mutate(qc_cv = apply(dplyr::select(., contains("QC")), 1, sd)/ qc_mean * 100)  %>% 
    group_by(`Metabolite name`, qc_mean) %>% 
    arrange(desc(qc_mean)) %>%
    ungroup() %>% 
    distinct(`Metabolite name`, .keep_all = T) %>% 
    group_by(INCHIKEY, qc_mean) %>% 
    arrange(desc(qc_mean)) %>%
    ungroup() %>% 
    distinct(INCHIKEY, .keep_all = T) %>% 
    filter(qc_cv < cv)
}

### Demo
# df <- read_tsv("hoge.txt", skip = 4) #exported file from MS-dial
# posi_adduct <- unique(df1$`Adduct type`)
# annotate_level <- c(400, 410, 420, 430)
# tmp <- ms_dial_filter(df, annotatelevel = annotate_level, adduct = posi_adduct, cv = 30)

This is a function to filter aligned text output from MS-dial (Ver4.8.0).
Requires tidyverse package.
File name for QC must contain "QC"