diff --git a/R/resources.R b/R/resources.R index aec28722c9d23b4ce8c21f4a0b62468b131cb281..7a8d8933f9412c32f32a6a28d767b5cfd0060904 100644 --- a/R/resources.R +++ b/R/resources.R @@ -24,10 +24,10 @@ FN_CMP_L<-"compounds.csv" FN_LOC_SETID <-"setid.csv" FN_COMP_TAB<-"comprehensive.csv" FN_SPEC<-"specdata.rds" -MODEMAP<-list(pH="MpHp_mass", - mH="MmHm_mass", - pNH4="MpNH4_mass", - pNa="MpNa_mass") +MODEMAP<-list("[M+H]+"="MpHp_mass", + "[M-H]-"="MmHm_mass", + "[M+NH4]+"="MpNH4_mass", + "[M+Na]+"="MpNa_mass") TAG_DEF <- "unspecified" TAG_DEF_DESC<-"Case"