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"property<-,RmbSpectrum2,character,missing,character-method", "property<-,RmbSpectrum2,character,missing,missing-method" ] }, { "page": "reanalyzeFailpeaks", "title": "Reanalyze unmatched peaks", "topics": [ "reanalyzeFailpeak", "reanalyzeFailpeaks" ] }, { "page": "recalibrate", "title": "Predefined recalibration functions.", "topics": [ "recalibrate", "recalibrate.identity", "recalibrate.linear", "recalibrate.loess", "recalibrate.mean" ] }, { "page": "recalibrate.addMS1data", "title": "Return MS1 peaks to be used for recalibration", "topics": [ "recalibrate.addMS1data" ] }, { "page": "rmb_log_debug", "title": "Pass arguments to logger::log_debug using custom RMassBank-logging settings", "topics": [ "rmb_log_debug" ] }, { "page": "rmb_log_error", "title": "Pass arguments to logger::log_error using custom RMassBank-logging settings", "topics": [ "rmb_log_error" ] }, { "page": "rmb_log_fatal", "title": "Pass arguments to logger::log_fatal using custom RMassBank-logging settings", "topics": [ "rmb_log_fatal" ] }, { "page": "rmb_log_info", "title": "Pass arguments to logger::log_info using custom RMassBank-logging settings", "topics": [ "rmb_log_info" ] }, { "page": "rmb_log_success", "title": "Pass arguments to logger::log_success using custom RMassBank-logging settings", "topics": [ "rmb_log_success" ] }, { "page": "rmb_log_trace", "title": "Pass arguments to logger::log_trace using custom RMassBank-logging settings", "topics": [ "rmb_log_trace" ] }, { "page": "rmb_log_warn", "title": "Pass arguments to logger::log_warn using custom RMassBank-logging settings", "topics": [ "rmb_log_warn" ] }, { "page": "RmbDefaultSettings", "title": "RMassBank settings", "topics": [ "loadRmbSettings", "loadRmbSettingsFromEnv", "RmbDefaultSettings", "RmbSettingsTemplate" ] }, { "page": "RmbSettings", "title": "RMassBank settings", "topics": [ "RmbSettings" ] }, { "page": "RmbSpectraSet-class", "title": "Set of spectra pertaining to one compound", "topics": [ ".RmbSpectraSet", "RmbSpectraSet-class" ] }, { "page": "RmbSpectrum2-class", "title": "RMassBank Representation of an MSMS Spectrum", "topics": [ ".RmbSpectrum2", "RmbSpectrum2-class" ] }, { "page": "RmbSpectrum2List", "title": "SimpleList specializations", "topics": [ ".RmbSpectraSetList", ".RmbSpectrum2List", "RmbSpectraSetList", "RmbSpectraSetList-class", "RmbSpectrum2List-class" ] }, { "page": "selectPeaks", "title": "Select peaks from aggregate table", "topics": [ "selectPeaks", "selectPeaks,data.frame-method", "selectPeaks,msmsWorkspace-method", "selectPeaks,RmbSpectraSet-method", "selectPeaks,RmbSpectraSetList-method", "selectPeaks,RmbSpectrum2-method", "selectPeaks,RmbSpectrum2List-method", "selectPeaks,Spectrum-method" ] }, { "page": "selectSpectra", "title": "Select a subset of spectra matching properties", "topics": [ "selectSpectra", "selectSpectra,msmsWorkspace,character-method", "selectSpectra,RmbSpectraSetList,character-method" ] }, { "page": "setAccessionBuilder", "title": "Define a programmatic or gluey ACCESSION builder", "topics": [ "setAccessionBuilder" ] }, { "page": "setData", "title": "Set 'RmbSpectrum2' data from data.frame", "topics": [ "setData", "setData,RmbSpectrum2,data.frame-method" ] }, { "page": "smiles2mass", "title": "Calculate the mass from a SMILES-String", "topics": [ "smiles2mass" ] }, { "page": "spectraCount", "title": "Count MS2 spectra per compound", "topics": [ "spectraCount", "spectraCount,msmsWorkspace-method", "spectraCount,RmbSpectraSet-method", "spectraCount,RmbSpectraSetList-method" ] }, { "page": "to.limits.rcdk", "title": "Convert formula to Rcdk limits", "topics": [ "to.limits.rcdk" ] }, { "page": "toMassbank", "title": "Write MassBank record into character array", "topics": [ "toMassbank", "toMassbank,RmbSpectraSet-method", "toMassbank,RmbSpectrum2-method" ] }, { "page": "toRMB", "title": "Conversion of XCMS-pseudospectra into RMassBank-spectra", "topics": [ "toRMB" ] }, { "page": "updateHeader", "title": "Add a header to a 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