splitter.R

samp <- readxl::read_xlsx("221216_Philipp_Steroids_combined stress exp_quan_R.xlsx", 1)
comp <- readxl::read_xlsx("221216_Philipp_Steroids_combined stress exp_quan_R.xlsx", 2)
meas <- readxl::read_xlsx("221216_Philipp_Steroids_combined stress exp_quan_R.xlsx", 3)

sheets <- readxl::excel_sheets("221216_Philipp_Steroids_combined stress exp_quan_R.xlsx")

samp1 <- samp %>% filter(!grepl("13-Steroid_STD_Pregnenolone", SAMPLE_ID))

comp1 <- comp %>% filter(FEATURE_ID %in% c("Keto-17OH-Pregnenolone", "Keto-DHEA"))

meas1 <- meas %>% filter(
  FEATURE_ID %in% c("Keto-17OH-Pregnenolone", "Keto-DHEA"),
  !grepl("13-Steroid_STD_Pregnenolone", SAMPLE_ID)
  )

list(
  samp1,
  comp1,
  meas1
) %>% 
  set_names(sheets[1:3]) %>% 
  openxlsx::write.xlsx("~/Frederik_calib/calib1.xlsx")



samp2 <- samp %>% filter(!grepl("DHEA_17-OH-Pregnenolone", SAMPLE_ID))

comp2 <- comp %>% filter(
  !FEATURE_ID %in% c("Keto-17OH-Pregnenolone", "Keto-DHEA"),
  !grepl("(D[0-9])|(13C)", FEATURE_ID)
  )

meas2 <- meas %>% filter(
  !FEATURE_ID %in% c("Keto-17OH-Pregnenolone", "Keto-DHEA"),
  !grepl("(D[0-9])|(13C)", FEATURE_ID),
  !grepl("DHEA_17-OH-Pregnenolone", SAMPLE_ID)
)


list(
  samp2,
  comp2,
  meas2
) %>% 
  set_names(sheets[1:3]) %>% 
  openxlsx::write.xlsx("~/Frederik_calib/calib2.xlsx")


ggplot(
  data = my_data$calib_data %>% filter(FEATURE_ID == "Keto-Pregnenolone-sulfate"),
  mapping = aes(x = conc2, y = peak_area2)
) + 
  geom_point()

ggplot(
  data = my_data$calib_data %>% filter(FEATURE_ID == "Keto-Progesterone"),
  mapping = aes(x = conc2, y = peak_area2)
) + 
  geom_point()


Keto-Progesterone