#Parent mass tolerance # Examples: 2.5Da or 30ppm # Use comma to set asymmetric values, for example "0.5Da,2.5Da" will set 0.5Da to the left (expMasstheoMass) PrecursorMassTolerance=10ppm #Max Number of Modifications per peptide # If this value is large, the search will be slow NumMods=3 #Modifications (see below for examples) StaticMod=C2H3N1O1, C, fix, any, Carbamidomethyl # Fixed Carbamidomethyl C (alkylation) DynamicMod=O1, M, opt, any, Oxidation # Oxidized methionine #Fragmentation Method # 0 means as written in the spectrum or CID if no info (Default) # 1 means CID # 2 means ETD # 3 means HCD # 4 means Merge spectra from the same precursor (e.g. CID/ETD pairs, CID/HCD/ETD triplets) FragmentationMethodID=3 #Instrument ID # 0 means Low-res LCQ/LTQ (Default for CID and ETD); use InstrumentID=0 if analyzing a dataset with low-res CID and high-res HCD spectra # 1 means High-res LTQ (Default for HCD; also appropriate for high res CID); use InstrumentID=1 for Orbitrap, Lumos, and QEHFX instruments # 2 means TOF # 3 means Q-Exactive InstrumentID=3 #Enzyme ID # 0 means No enzyme used # 1 means Trypsin (Default); use this along with NTT=0 for a no-enzyme search of a tryptically digested sample # 2: Chymotrypsin, 3: Lys-C, 4: Lys-N, 5: Glu-C, 6: Arg-C, 7: Asp-N, 8: alphaLP, 9: No Enzyme (for peptidomics) EnzymeID=1 #Isotope error range # Takes into account of the error introduced by choosing non-monoisotopic peak for fragmentation. # Useful for accurate precursor ion masses # Ignored if the parent mass tolerance is > 0.5Da or 500ppm # The combination of -t and -ti determins the precursor mass tolerance. # e.g. "-t 20ppm -ti -1,2" tests abs(exp-calc-n*1.00335Da)<20ppm for n=-1, 0, 1, 2. IsotopeErrorRange=0,1 #Number of tolerable termini # The number of peptide termini that must have been cleaved by the enzyme (default 1) # For trypsin, 2 means fully tryptic only, 1 means partially tryptic, and 0 means no-enzyme search NTT=2 #Target/Decoy search mode # 0 means don't search decoy database (default) # 1 means search decoy database to compute FDR (source FASTA file must be forward-only proteins) TDA=1 #Number of Threads (by default, uses all available cores) NumThreads=6 #Minimum peptide length to consider MinPepLength=6 #Maximum peptide length to consider MaxPepLength=46 #Minimum precursor charge to consider (if not specified in the spectrum) MinCharge=2 #Maximum precursor charge to consider (if not specified in the spectrum) MaxCharge=6 #Number of matches per spectrum to be reported #If this value is greater than 1 then the FDR values computed by MS-GF+ will be skewed by high-scoring 2nd and 3rd hits NumMatchesPerSpec=1 #Amino Acid Modification Examples # Specific static modifications using one or more StaticMod= entries # Specific dynamic modifications using one or more DynamicMod= entries # Modification format is: # Mass or CompositionStr, Residues, ModType, Position, Name (all the five fields are required). # Examples: # C2H3N1O1, C, fix, any, Carbamidomethyl # Fixed Carbamidomethyl C (alkylation) # O1, M, opt, any, Oxidation # Oxidation M # 15.994915, M, opt, any, Oxidation # Oxidation M (mass is used instead of CompositionStr) # H-1N-1O1, NQ, opt, any, Deamidated # Negative numbers are allowed. # CH2, K, opt, any, Methyl # Methylation K # C2H2O1, K, opt, any, Acetyl # Acetylation K # HO3P, STY,opt, any, Phospho # Phosphorylation STY # C2H3NO, *, opt, N-term, Carbamidomethyl # Variable Carbamidomethyl N-term # H-2O-1, E, opt, N-term, Glu->pyro-Glu # Pyro-glu from E # H-3N-1, Q, opt, N-term, Gln->pyro-Glu # Pyro-glu from Q # C2H2O, *, opt, Prot-N-term, Acetyl # Acetylation Protein N-term # C14H23NO10, S/T , opt, any, Hex(1)HexNAc(1) # Hex(1)HexNAc(1) # C25H40N2O18, S/T , opt, any, Hex(1)HexNAc(1)Neu5Ac(1) # Hex(1)HexNAc(1)Neu5Ac(1) # C36H57N3O26, S/T , opt, any, Hex(1)HexNAc(1)Neu5Ac(2) #Hex(1)HexNAc(1)Neu5Ac(2)