# data file containing mz intensity peak pairs (one per line)
#
PeakListPath = {peaklist_file_path}


#
# database parameters -> how to retrieve candidates
#
#
{database_setting}

# MetFragDatabaseType = PubChem
# MetFragDatabaseType = ChemSpider
# ChemSpiderToken = .....

{precursor_setting}

NumberThreads = {num_threads}

#348.926284

#
# peak matching parameters
#
FragmentPeakMatchAbsoluteMassDeviation = {dmz_ms2_absolute}
# 0.001
FragmentPeakMatchRelativeMassDeviation = {dmz_ms2_ppm}
# 5

PrecursorIonMode = {precursor_ion_mode}
IsPositiveIonMode = {is_positive_mode}

#
# scoring parameters
#
MetFragScoreTypes = {score_types}
MetFragScoreWeights = {score_weights}

#
# output
# SDF, XLS, CSV, ExtendedXLS, ExtendedFragmentsXLS
#
MetFragCandidateWriter = CSV
SampleName = {result_file_name}
ResultsPath = {result_folder}

#
# following parameteres can be kept as they are
#
MaximumTreeDepth = 2
MetFragPreProcessingCandidateFilter = UnconnectedCompoundFilter
MetFragPostProcessingCandidateFilter = InChIKeyFilter

