diff --git a/lib/qua/qua.go b/lib/qua/qua.go index 41940beb..d0e24c1c 100644 --- a/lib/qua/qua.go +++ b/lib/qua/qua.go @@ -110,7 +110,7 @@ func RunIsobaricLabelQuantification(p met.Quantify, mods bool) met.Quantify { labels = prepareLabelStructureWithMS2(p.Dir, p.Format, p.Brand, p.Plex, p.Tol, mz) } - labels = assignLabelNames(labels, p.LabelNames, p.Brand) + labels = assignLabelNames(labels, p.LabelNames, p.Brand, p.Plex) mappedPSM := mapLabeledSpectra(labels, p.Purity, sourceMap[sourceList[i]]) @@ -242,7 +242,7 @@ func cleanPreviousData(evi rep.Evidence, brand, plex string) rep.Evidence { } // checks for custom names and assign the normal channel or the custom name to the CustomName -func assignLabelNames(labels map[string]iso.Labels, labelNames map[string]string, brand string) map[string]iso.Labels { +func assignLabelNames(labels map[string]iso.Labels, labelNames map[string]string, brand, plex string) map[string]iso.Labels { for k, v := range labels { v2 := v @@ -345,8 +345,33 @@ func assignLabelNames(labels map[string]iso.Labels, labelNames map[string]string v2.Channel16.CustomName = labelNames["134N"] } - } else if brand == "itraq" { + } else if brand == "itraq" && plex == "4" { + + if len(labelNames["114"]) < 1 { + v2.Channel1.CustomName = "114" + } else { + v2.Channel1.CustomName = labelNames["114"] + } + + if len(labelNames["115"]) < 1 { + v2.Channel2.CustomName = "115" + } else { + v2.Channel2.CustomName = labelNames["115"] + } + + if len(labelNames["116"]) < 1 { + v2.Channel3.CustomName = "116" + } else { + v2.Channel3.CustomName = labelNames["116"] + } + + if len(labelNames["117"]) < 1 { + v2.Channel4.CustomName = "117" + } else { + v2.Channel4.CustomName = labelNames["117"] + } + } else if brand == "itraq" && plex == "8" { if len(labelNames["113"]) < 1 { v2.Channel1.CustomName = "113" } else {