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Tweak set of MQ XML return values
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csoneson committed Jul 17, 2023
1 parent 194cad8 commit 59282f4
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Showing 2 changed files with 2 additions and 6 deletions.
2 changes: 0 additions & 2 deletions R/readMaxQuantXML.R
Original file line number Diff line number Diff line change
Expand Up @@ -98,10 +98,8 @@ readMaxQuantXML <- function(mqParameterFile) {
"Sample names" = mq_experiments,
"Databases" = mq_fasta_files,
"Contaminants" = mq_contaminants,
"Quantification mode" = mq_quant_mode,
"Quantification settings (LFQ)" = mq_quant_methods,
"Min. razor peptides" = mq_peptides_for_quantification,
"Requantify" = mq_requantify,
"Enzymes" = mq_enzymes,
"Variable modifications" = mq_variable_modifications,
"Fixed modifications" = mq_fixed_modifications,
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6 changes: 2 additions & 4 deletions tests/testthat/test-readMaxQuantXML.R
Original file line number Diff line number Diff line change
Expand Up @@ -17,9 +17,9 @@ test_that("reading MQ XML file works", {
expect_equal(length(mq), 17)
expect_named(mq, c("MaxQuant version", "Parameter file", "Search engine",
"Raw file location", "Raw files", "Sample names",
"Databases", "Contaminants", "Quantification mode",
"Databases", "Contaminants",
"Quantification settings (LFQ)", "Min. razor peptides",
"Requantify", "Enzymes", "Variable modifications",
"Enzymes", "Variable modifications",
"Fixed modifications", "Max peptide mass",
"Min peptide length"))

Expand All @@ -29,11 +29,9 @@ test_that("reading MQ XML file works", {
## Check individual values
expect_equal(mq$`MaxQuant version`, "1.5.3.8")
expect_equal(mq$`Sample names`, "Adnp_IP04, Adnp_IP05, Adnp_IP06, Chd4BF_IP07, Chd4BF_IP08, Chd4BF_IP09, RBC_ctrl_IP01, RBC_ctrl_IP02, RBC_ctrl_IP03")
expect_equal(mq$`Quantification mode`, "1")
expect_equal(mq$`Quantification settings (LFQ)`,
"LFQ min. ratio count: 1, fastLFQ: false, match-between runs (MBR): true, Intensity based absolute quantification (iBAQ): true")
expect_equal(mq$`Min. razor peptides`, "1")
expect_equal(mq$Requantify, "false")
expect_equal(mq$Enzymes, "Trypsin/P")
expect_equal(mq$`Variable modifications`, "Oxidation (M), Acetyl (Protein N-term)")
expect_equal(mq$`Fixed modifications`, "")
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