P281424/AMR
1
0
Fork 0
mirror of https://github.com/msberends/AMR.git synced 2024-12-26 18:06:11 +01:00
Code Releases Activity
bc4f8515e2
AMR/data-raw/reproduction_of_clinical_breakpoints.R

386 lines
19 KiB
R
Raw Blame History

This file contains ambiguous Unicode characters

This file contains Unicode characters that might be confused with other characters. If you think that this is intentional, you can safely ignore this warning. Use the Escape button to reveal them.

# ==================================================================== #
# TITLE: #
# AMR: An R Package for Working with Antimicrobial Resistance Data #
# #
# SOURCE CODE: #
# https://github.com/msberends/AMR #
# #
# PLEASE CITE THIS SOFTWARE AS: #
# Berends MS, Luz CF, Friedrich AW, Sinha BNM, Albers CJ, Glasner C #
# (2022). AMR: An R Package for Working with Antimicrobial Resistance #
# Data. Journal of Statistical Software, 104(3), 1-31. #
# https://doi.org/10.18637/jss.v104.i03 #
# #
# Developed at the University of Groningen and the University Medical #
# Center Groningen in The Netherlands, in collaboration with many #
# colleagues from around the world, see our website. #
# #
# This R package is free software; you can freely use and distribute #
# it for both personal and commercial purposes under the terms of the #
# GNU General Public License version 2.0 (GNU GPL-2), as published by #
# the Free Software Foundation. #
# We created this package for both routine data analysis and academic #
# research and it was publicly released in the hope that it will be #
# useful, but it comes WITHOUT ANY WARRANTY OR LIABILITY. #
# #
# Visit our website for the full manual and a complete tutorial about #
# how to conduct AMR data analysis: https://msberends.github.io/AMR/ #
# ==================================================================== #
# This script runs in 20-30 minutes and renews all guidelines of CLSI and EUCAST!
# Run it with source("data-raw/reproduction_of_clinical_breakpoints.R")
library(dplyr)
library(readr)
library(tidyr)
devtools::load_all()
# Install the WHONET software on Windows (http://www.whonet.org/software.html),
# and copy the folder C:\WHONET\Resources to the data-raw/WHONET/ folder
# (for ASIARS-Net update, also copy C:\WHONET\Codes to the data-raw/WHONET/ folder)
# BE SURE TO RUN data-raw/reproduction_of_microorganisms.groups.R FIRST TO GET THE GROUPS!
# READ DATA ----
whonet_organisms <- read_tsv("data-raw/WHONET/Resources/Organisms.txt", na = c("", "NA", "-"), show_col_types = FALSE) %>%
# remove old taxonomic names
filter(TAXONOMIC_STATUS == "C") %>%
mutate(ORGANISM_CODE = toupper(WHONET_ORG_CODE))
whonet_breakpoints <- read_tsv("data-raw/WHONET/Resources/Breakpoints.txt", na = c("", "NA", "-"),
show_col_types = FALSE, guess_max = Inf) %>%
filter(GUIDELINES %in% c("CLSI", "EUCAST"))
whonet_antibiotics <- read_tsv("data-raw/WHONET/Resources/Antibiotics.txt", na = c("", "NA", "-"), show_col_types = FALSE) %>%
arrange(WHONET_ABX_CODE) %>%
distinct(WHONET_ABX_CODE, .keep_all = TRUE)
# MICROORGANISMS WHONET CODES ----
whonet_organisms <- whonet_organisms %>%
select(ORGANISM_CODE, ORGANISM, SPECIES_GROUP, GBIF_TAXON_ID) %>%
mutate(
# this one was called Issatchenkia orientalis, but it should be:
ORGANISM = if_else(ORGANISM_CODE == "ckr", "Candida krusei", ORGANISM)
) %>%
# try to match on GBIF identifier
left_join(microorganisms %>% distinct(mo, gbif, status) %>% filter(!is.na(gbif)), by = c("GBIF_TAXON_ID" = "gbif")) %>%
# remove duplicates
arrange(ORGANISM_CODE, GBIF_TAXON_ID, status) %>%
distinct(ORGANISM_CODE, .keep_all = TRUE) %>%
# add Enterobacterales, which is a subkingdom code in their data
bind_rows(data.frame(ORGANISM_CODE = "ebc", ORGANISM = "Enterobacterales", mo = as.mo("Enterobacterales"))) %>%
arrange(ORGANISM)
## Add new WHO codes to microorganisms.codes ----
matched <- whonet_organisms %>% filter(!is.na(mo))
unmatched <- whonet_organisms %>% filter(is.na(mo))
# generate the mo codes and add their names
message("Getting MO codes for WHONET input...")
unmatched <- unmatched %>%
mutate(mo = as.mo(gsub("(sero[a-z]*| nontypable| non[-][a-zA-Z]+|var[.]| not .*|sp[.],.*|, .*variant.*|, .*toxin.*|, microaer.*| beta-haem[.])", "", ORGANISM),
minimum_matching_score = 0.55,
keep_synonyms = TRUE,
language = "en"),
mo = case_when(ORGANISM %like% "Anaerobic" & ORGANISM %like% "negative" ~ as.mo("B_ANAER-NEG"),
ORGANISM %like% "Anaerobic" & ORGANISM %like% "positive" ~ as.mo("B_ANAER-POS"),
ORGANISM %like% "Anaerobic" ~ as.mo("B_ANAER"),
TRUE ~ mo),
mo_name = mo_name(mo,
keep_synonyms = TRUE,
language = "en"))
# check if coercion at least resembles the first part (genus)
unmatched <- unmatched %>%
mutate(
first_part = sapply(ORGANISM, function(x) strsplit(gsub("[^a-zA-Z _-]+", "", x), " ")[[1]][1], USE.NAMES = FALSE),
keep = mo_name %like_case% first_part | ORGANISM %like% "Gram " | ORGANISM == "Other" | ORGANISM %like% "anaerobic") %>%
arrange(keep)
unmatched %>%
View()
unmatched <- unmatched %>%
filter(keep == TRUE)
organisms <- matched %>% transmute(code = toupper(ORGANISM_CODE), group = SPECIES_GROUP, mo) %>%
bind_rows(unmatched %>% transmute(code = toupper(ORGANISM_CODE), group = SPECIES_GROUP, mo)) %>%
mutate(name = mo_name(mo, keep_synonyms = TRUE)) %>%
arrange(code)
# some subspecies exist, while their upper species do not, add them as the species level:
subspp <- organisms %>%
filter(mo_species(mo, keep_synonyms = TRUE) == mo_subspecies(mo, keep_synonyms = TRUE) &
mo_species(mo, keep_synonyms = TRUE) != "" &
mo_genus(mo, keep_synonyms = TRUE) != "Salmonella") %>%
mutate(mo = as.mo(paste(mo_genus(mo, keep_synonyms = TRUE),
mo_species(mo, keep_synonyms = TRUE)),
keep_synonyms = TRUE),
name = mo_name(mo, keep_synonyms = TRUE))
organisms <- organisms %>%
filter(!code %in% subspp$code) %>%
bind_rows(subspp) %>%
arrange(code)
# add the groups
organisms <- organisms %>%
bind_rows(tibble(code = organisms %>% filter(!is.na(group)) %>% pull(group) %>% unique(),
group = NA,
mo = organisms %>% filter(!is.na(group)) %>% pull(group) %>% unique() %>% as.mo(keep_synonyms = TRUE),
name = mo_name(mo, keep_synonyms = TRUE))) %>%
arrange(code, group) %>%
select(-group) %>%
distinct()
# 2023-07-08 SGM is also Strep gamma in WHONET, must only be Slowly-growing Mycobacterium
organisms <- organisms %>%
filter(!(code == "SGM" & name %like% "Streptococcus"))
# this must be empty:
organisms$code[organisms$code %>% duplicated()]
saveRDS(organisms, "data-raw/organisms.rds", version = 2)
#---
# AT THIS POINT, `organisms` is clean and all entries have an mo code
#---
# update microorganisms.codes with the latest WHONET codes
microorganisms.codes2 <- microorganisms.codes %>%
# remove all old WHONET codes, whether we (in the end) keep them or not
filter(!toupper(code) %in% toupper(organisms$code)) %>%
# and add the new ones
bind_rows(organisms %>% select(code, mo)) %>%
arrange(code) %>%
distinct(code, .keep_all = TRUE)
# new codes:
microorganisms.codes2$code[which(!microorganisms.codes2$code %in% microorganisms.codes$code)]
mo_name(microorganisms.codes2$mo[which(!microorganisms.codes2$code %in% microorganisms.codes$code)], keep_synonyms = TRUE)
microorganisms.codes <- microorganisms.codes2
# Run this part to update ASIARS-Net:
# # start
# asiarsnet <- read_tsv("data-raw/WHONET/Codes/ASIARS_Net_Organisms_ForwardLookup.txt")
# asiarsnet <- asiarsnet %>%
# mutate(WHONET_Code = toupper(WHONET_Code)) %>%
# left_join(whonet_organisms %>% mutate(WHONET_Code = toupper(ORGANISM_CODE))) %>%
# mutate(
# mo1 = as.mo(ORGANISM_CODE),
# mo2 = as.mo(ORGANISM)
# ) %>%
# mutate(mo = if_else(mo2 == "UNKNOWN" | is.na(mo2), mo1, mo2)) %>%
# filter(!is.na(mo))
# insert1 <- asiarsnet %>% transmute(code = WHONET_Code, mo)
# insert2 <- asiarsnet %>% transmute(code = as.character(ASIARS_Net_Code), mo)
# # these will be updated
# bind_rows(insert1, insert2) %>%
# rename(mo_new = mo) %>%
# left_join(microorganisms.codes) %>%
# filter(mo != mo_new)
# microorganisms.codes <- microorganisms.codes %>%
# filter(!code %in% c(insert1$code, insert2$code)) %>%
# bind_rows(insert1, insert2) %>%
# arrange(code)
# # end
## Save to package ----
class(microorganisms.codes$mo) <- c("mo", "character")
usethis::use_data(microorganisms.codes, overwrite = TRUE, compress = "xz", version = 2)
rm(microorganisms.codes)
devtools::load_all()
# BREAKPOINTS ----
# now that we have the correct MO codes, get the breakpoints and convert them
whonet_breakpoints %>%
count(GUIDELINES, BREAKPOINT_TYPE) %>%
pivot_wider(names_from = BREAKPOINT_TYPE, values_from = n) %>%
janitor::adorn_totals(where = c("row", "col"))
breakpoints <- whonet_breakpoints %>%
mutate(code = toupper(ORGANISM_CODE)) %>%
left_join(bind_rows(microorganisms.codes %>% filter(!code %in% c("ALL", "GEN")),
# GEN (Generic) and ALL (All) are PK/PD codes
data.frame(code = c("ALL", "GEN"),
mo = rep(as.mo("UNKNOWN"), 2))))
# these ones lack an MO name, they cannot be used:
unknown <- breakpoints %>%
filter(is.na(mo)) %>%
pull(code) %>%
unique()
breakpoints %>%
filter(code %in% unknown) %>%
count(GUIDELINES, YEAR, ORGANISM_CODE, BREAKPOINT_TYPE, sort = TRUE)
# 2024-02-22: clu and kma are know (see below), fix the PBI one
breakpoints$mo[breakpoints$ORGANISM_CODE == "PBI"] <- as.mo("Parabacteroides")
breakpoints$ORGANISM_CODE[breakpoints$ORGANISM_CODE == "PBI"] <- "Parabacteroides"
# 2023-07-08: these codes are currently: clu, kma. No clue (are not in MO list of WHONET), so remove them:
breakpoints <- breakpoints %>%
filter(!is.na(mo))
# and these ones have unknown antibiotics according to WHONET itself:
breakpoints %>%
filter(!WHONET_ABX_CODE %in% whonet_antibiotics$WHONET_ABX_CODE) %>%
count(YEAR, GUIDELINES, WHONET_ABX_CODE) %>%
arrange(desc(YEAR))
breakpoints %>%
filter(!WHONET_ABX_CODE %in% whonet_antibiotics$WHONET_ABX_CODE) %>%
pull(WHONET_ABX_CODE) %>%
unique()
# they are at the moment all old codes that have the right replacements in `antibiotics`, so we can use as.ab()
## Build new breakpoints table ----
breakpoints_new <- breakpoints %>%
filter(!is.na(WHONET_ABX_CODE)) %>%
transmute(
guideline = paste(GUIDELINES, YEAR),
type = ifelse(BREAKPOINT_TYPE == "ECOFF", "ECOFF", tolower(BREAKPOINT_TYPE)),
host = ifelse(BREAKPOINT_TYPE == "ECOFF", "ECOFF", tolower(HOST)),
method = TEST_METHOD,
site = SITE_OF_INFECTION,
mo,
rank_index = case_when(
is.na(mo_rank(mo, keep_synonyms = TRUE)) ~ 6, # for UNKNOWN, B_GRAMN, B_ANAER, B_ANAER-NEG, etc.
mo_rank(mo, keep_synonyms = TRUE) %like% "(infra|sub)" ~ 1,
mo_rank(mo, keep_synonyms = TRUE) == "species" ~ 2,
mo_rank(mo, keep_synonyms = TRUE) == "species group" ~ 2.5,
mo_rank(mo, keep_synonyms = TRUE) == "genus" ~ 3,
mo_rank(mo, keep_synonyms = TRUE) == "family" ~ 4,
mo_rank(mo, keep_synonyms = TRUE) == "order" ~ 5,
TRUE ~ 6
),
ab = as.ab(WHONET_ABX_CODE),
ref_tbl = ifelse(type == "ECOFF" & is.na(REFERENCE_TABLE), "ECOFF", REFERENCE_TABLE),
disk_dose = POTENCY,
breakpoint_S = ifelse(type == "ECOFF" & is.na(S) & !is.na(ECV_ECOFF), ECV_ECOFF, S),
breakpoint_R = ifelse(type == "ECOFF" & is.na(R) & !is.na(ECV_ECOFF), ECV_ECOFF, R),
uti = ifelse(is.na(site), FALSE, gsub(".*(UTI|urinary|urine).*", "UTI", site) == "UTI")
) %>%
# Greek symbols and EM dash symbols are not allowed by CRAN, so replace them with ASCII:
mutate(disk_dose = disk_dose %>%
gsub("μ", "u", ., fixed = TRUE) %>% # this is 'mu', \u03bc
gsub("µ", "u", ., fixed = TRUE) %>% # this is 'micro', u00b5 (yes, they look the same)
gsub("–", "-", ., fixed = TRUE)) %>%
arrange(desc(guideline), mo, ab, type, method) %>%
filter(!(is.na(breakpoint_S) & is.na(breakpoint_R)) & !is.na(mo) & !is.na(ab)) %>%
distinct(guideline, type, host, ab, mo, method, site, breakpoint_S, .keep_all = TRUE)
# check the strange duplicates
breakpoints_new %>%
mutate(id = paste(guideline, type, host, ab, mo, method, site)) %>%
filter(id %in% .$id[which(duplicated(id))])
# remove duplicates
breakpoints_new <- breakpoints_new %>%
distinct(guideline, type, host, ab, mo, method, site, .keep_all = TRUE)
# fix reference table names
breakpoints_new %>% filter(guideline %like% "EUCAST", is.na(ref_tbl)) %>% View()
breakpoints_new <- breakpoints_new %>%
mutate(ref_tbl = case_when(is.na(ref_tbl) & guideline %like% "EUCAST 202" ~ lead(ref_tbl),
is.na(ref_tbl) ~ "Unknown",
TRUE ~ ref_tbl))
# clean disk zones
breakpoints_new[which(breakpoints_new$method == "DISK"), "breakpoint_S"] <- as.double(as.disk(breakpoints_new[which(breakpoints_new$method == "DISK"), "breakpoint_S", drop = TRUE]))
breakpoints_new[which(breakpoints_new$method == "DISK"), "breakpoint_R"] <- as.double(as.disk(breakpoints_new[which(breakpoints_new$method == "DISK"), "breakpoint_R", drop = TRUE]))
# regarding animal breakpoints, CLSI has adults and foals for horses, but only for amikacin - remove them
breakpoints_new <- breakpoints_new |>
filter(host %unlike% "foal") |>
mutate(host = ifelse(host %like% "horse", "horse", host))
# FIXES FOR WHONET ERRORS ----
# WHONET has no >1024 but instead uses 1025, 513, etc, so as.mic() cannot be used to clean.
# instead, clean based on MIC factor levels
m <- unique(as.double(as.mic(levels(as.mic(1)))))
breakpoints_new[which(breakpoints_new$method == "MIC" &
is.na(breakpoints_new$breakpoint_S)), "breakpoint_S"] <- min(m)
breakpoints_new[which(breakpoints_new$method == "MIC" &
is.na(breakpoints_new$breakpoint_R)), "breakpoint_R"] <- max(m)
# raise these one higher valid MIC factor level:
breakpoints_new[which(breakpoints_new$breakpoint_R == 129), "breakpoint_R"] <- 128
breakpoints_new[which(breakpoints_new$breakpoint_R == 257), "breakpoint_R"] <- 256
breakpoints_new[which(breakpoints_new$breakpoint_R == 513), "breakpoint_R"] <- 512
breakpoints_new[which(breakpoints_new$breakpoint_R == 1025), "breakpoint_R"] <- 1024
# fix streptococci in WHONET table of EUCAST: Strep A, B, C and G must only include these groups and not all streptococci:
breakpoints_new$mo[breakpoints_new$mo == "B_STRPT" & breakpoints_new$ref_tbl %like% "^strep.* a.* b.*c.*g"] <- as.mo("B_STRPT_ABCG")
# Haemophilus same error (must only be H. influenzae)
breakpoints_new$mo[breakpoints_new$mo == "B_HMPHL" & breakpoints_new$ref_tbl %like% "^h.* influenzae"] <- as.mo("B_HMPHL_INFL")
# EUCAST says that for H. parainfluenzae the H. influenza rules can be used, so add them
breakpoints_new <- breakpoints_new %>%
bind_rows(
breakpoints_new %>%
filter(guideline %like% "EUCAST", mo == "B_HMPHL_INFL") %>%
mutate(mo = as.mo("B_HMPHL_PRNF"))
) %>%
arrange(desc(guideline), mo, ab, type, host, method)
# Achromobacter denitrificans is in WHONET included in their A. xylosoxidans table, must be removed
breakpoints_new <- breakpoints_new %>% filter(mo != as.mo("Achromobacter denitrificans"))
# WHONET contains gentamicin breakpoints for viridans streptocci, which are intrinsic R - they meant genta-high, which is ALSO in their table, so we just remove gentamicin in viridans streptococci
breakpoints_new <- breakpoints_new %>% filter(!(mo == as.mo("Streptococcus viridans") & ab == "GEN"))
# Nitrofurantoin in Staph (EUCAST) only applies to S. saprophyticus, while WHONET has the DISK correct but the MIC on genus level
breakpoints_new$mo[breakpoints_new$mo == "B_STPHY" & breakpoints_new$ab == "NIT" & breakpoints_new$guideline %like% "EUCAST"] <- as.mo("B_STPHY_SPRP")
# WHONET sets the 2023 breakpoints for SAM to MIC of 16/32 for Enterobacterales, should be MIC 8/32 like AMC (see issue #123 on github.com/msberends/AMR)
# UPDATE 2024-02-22: fixed now
# breakpoints_new$breakpoint_S[breakpoints_new$mo == "B_[ORD]_ENTRBCTR" & breakpoints_new$ab == "SAM" & breakpoints_new$guideline %like% "CLSI 2023" & breakpoints_new$method == "MIC"] <- 8
# determine rank again now that some changes were made on taxonomic level (genus -> species)
breakpoints_new <- breakpoints_new %>%
mutate(rank_index = case_when(
is.na(mo_rank(mo, keep_synonyms = TRUE)) ~ 6, # for UNKNOWN, B_GRAMN, B_ANAER, B_ANAER-NEG, etc.
mo_rank(mo, keep_synonyms = TRUE) %like% "(infra|sub)" ~ 1,
mo_rank(mo, keep_synonyms = TRUE) == "species" ~ 2,
mo_rank(mo, keep_synonyms = TRUE) == "species group" ~ 2.5,
mo_rank(mo, keep_synonyms = TRUE) == "genus" ~ 3,
mo_rank(mo, keep_synonyms = TRUE) == "family" ~ 4,
mo_rank(mo, keep_synonyms = TRUE) == "order" ~ 5,
TRUE ~ 6
))
# WHONET adds one log2 level to the R breakpoint for their software, e.g. in AMC in Enterobacterales:
# EUCAST 2022 guideline: S <= 8 and R > 8
# WHONET file: S <= 8 and R >= 16
breakpoints_new %>% filter(guideline == "EUCAST 2023", ab == "AMC", mo == "B_[ORD]_ENTRBCTR", method == "MIC")
# this will make an MIC of 12 I, which should be R according to EUCAST, so:
breakpoints_new <- breakpoints_new %>%
mutate(breakpoint_R = ifelse(guideline %like% "EUCAST" & method == "MIC" & log2(breakpoint_R) - log2(breakpoint_S) != 0,
pmax(breakpoint_S, breakpoint_R / 2),
breakpoint_R
))
# fix disks as well
breakpoints_new %>% filter(guideline == "EUCAST 2023", ab == "AMC", mo == "B_[ORD]_ENTRBCTR", method == "DISK")
breakpoints_new <- breakpoints_new %>%
mutate(breakpoint_R = ifelse(guideline %like% "EUCAST" & method == "DISK" & breakpoint_S - breakpoint_R != 0,
breakpoint_R + 1,
breakpoint_R
))
# fill missing R breakpoint where there is an S breakpoint
breakpoints_new[which(is.na(breakpoints_new$breakpoint_R)), "breakpoint_R"] <- breakpoints_new[which(is.na(breakpoints_new$breakpoint_R)), "breakpoint_S"]
# CHECKS AND SAVE TO PACKAGE ----
# check again
breakpoints_new %>% filter(guideline == "EUCAST 2023", ab == "AMC", mo == "B_[ORD]_ENTRBCTR", method == "MIC")
# compare with current version
clinical_breakpoints %>% filter(guideline == "EUCAST 2022", ab == "AMC", mo == "B_[ORD]_ENTRBCTR", method == "MIC")
# must have "human" and "ECOFF"
breakpoints_new %>% filter(mo == "B_STRPT_PNMN", ab == "AMP", guideline == "EUCAST 2020", method == "MIC")
# check dimensions
dim(breakpoints_new)
dim(clinical_breakpoints)
clinical_breakpoints <- breakpoints_new
clinical_breakpoints <- clinical_breakpoints %>% dataset_UTF8_to_ASCII()
usethis::use_data(clinical_breakpoints, overwrite = TRUE, compress = "xz", version = 2)
rm(clinical_breakpoints)
devtools::load_all(".")
View Git Blame Copy Permalink