diff --git a/R/annotate_spectra.R b/R/annotate_spectra.R index 9b56a3466..96648e817 100644 --- a/R/annotate_spectra.R +++ b/R/annotate_spectra.R @@ -133,6 +133,9 @@ annotate_spectra <- function(input = params$files$spectral$raw, query_precursors <- spectra@backend@spectraData$precursorMz query_spectra <- spectra@backend@peaksData query_rts <- spectra@backend@spectraData$rtime + if (is.null(query_rts)) { + query_rts <- rep(NA_real_, length(spectra)) + } if (approx == FALSE) { log_debug("Reducing library size...") @@ -182,6 +185,9 @@ annotate_spectra <- function(input = params$files$spectral$raw, lib_smiles <- spectral_library@backend@spectraData$smiles lib_smiles2D <- spectral_library@backend@spectraData$smiles_2D lib_rts <- spectral_library@backend@spectraData$rtime + if (is.null(lib_rts)) { + lib_rts <- rep(NA_real_, length(spectral_library)) + } lib_name <- spectral_library@backend@spectraData$name lib_mf <- spectral_library@backend@spectraData$formula lib_mass <- spectral_library@backend@spectraData$exactmass