class SpectrumQuery
<spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8167.00003.00003.2" start_scan="3" end_scan="3"
precursor_neutral_mass=“1398.7082” assumed_charge=“2” index=“2” experiment_label=“mr176”>
<search_result> <search_hit hit_rank="1" peptide="SQVFQLESTFDV" peptide_prev_aa="R" peptide_next_aa="K" protein="tr|Q90853|Q90853_CHICK" protein_descr="Homeobox protein OS=Gallus gallus GN=GH6 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="9" tot_num_ions="22" calc_neutral_pep_mass="1380.6557" massdiff="18.053" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <search_score name="hyperscore" value="23.9"/> <search_score name="nextscore" value="19.3"/> <search_score name="bscore" value="9.6"/> <search_score name="yscore" value="7.6"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="0.099"/> <analysis_result analysis="peptideprophet"> <peptideprophet_result probability="0.9997" all_ntt_prob="(0.0000,0.9997,0.9999)"> <search_score_summary> <parameter name="fval" value="2.3571"/> <parameter name="ntt" value="1"/> <parameter name="nmc" value="0"/> <parameter name="massd" value="18.053"/> </search_score_summary> </peptideprophet_result> </analysis_result> </search_hit> </search_result> </spectrum_query>
Attributes
psms[RW]
attr_accessor :index
retention_time[RW]
spectrum_title[RW]
Public Class Methods
from_mzid(query_node,mzid_doc)
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<SpectrumIdentificationResult spectraData_ref=“ma201_Vp_1-10.mzML.mgf” spectrumID=“index=3152” id=“SIR_1”>
<SpectrumIdentificationItem passThreshold="false" rank="1" peptide_ref="KSPVYKVHFTR" calculatedMassToCharge="1360.7615466836999" experimentalMassToCharge="1362.805053710938" chargeState="1" id="SII_1_1"> <PeptideEvidenceRef peptideEvidence_ref="PepEv_1" /> <Fragmentation> <IonType charge="1" index="1 4"> <FragmentArray measure_ref="Measure_MZ" values="175.2081208 560.3388993" /> <FragmentArray measure_ref="Measure_Int" values="94.0459823608 116.2766723633" /> <FragmentArray measure_ref="Measure_Error" values="0.08916864948798775 0.0449421494880653" /> <cvParam cvRef="PSI-MS" accession="MS:1001220" name="frag: y ion" /> </IonType> </Fragmentation> <cvParam cvRef="PSI-MS" accession="MS:1002466" name="PeptideShaker PSM score" value="0.0" /> <cvParam cvRef="PSI-MS" accession="MS:1002467" name="PeptideShaker PSM confidence" value="0.0" /> <cvParam cvRef="PSI-MS" accession="MS:1002052" name="MS-GF:SpecEValue" value="1.4757611E-6" /> <cvParam cvRef="PSI-MS" accession="MS:1001117" name="theoretical mass" value="1360.7615466836999" /> <cvParam cvRef="PSI-MS" accession="MS:1002543" name="PeptideShaker PSM confidence type" value="Not Validated" /> </SpectrumIdentificationItem> <cvParam cvRef="PSI-MS" accession="MS:1000796" name="spectrum title" value="Suresh Vp 1 to 10_BAF.3535.3535.1" /> <cvParam cvRef="PSI-MS" accession="MS:1000894" name="retention time" value="6855.00001" unitCvRef="UO" unitAccession="UO:0000010" unitName="seconds" />
</SpectrumIdentificationResult>
# File lib/protk/spectrum_query.rb, line 89 def from_mzid(query_node,mzid_doc) query = new() query.spectrum_title = mzid_doc.get_cvParam(query_node,"MS:1000796")['value'].to_s query.retention_time = mzid_doc.get_cvParam(query_node,"MS:1000894")['value'].to_f items = MzIdentMLDoc.find(query_node,"SpectrumIdentificationItem") query.psms = items.collect { |item| PSM.from_mzid(item,mzid_doc) } query end
new()
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# File lib/protk/spectrum_query.rb, line 102 def initialize() end
Public Instance Methods
as_pepxml()
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<spectrum_query spectrum=“SureshVp1to10_BAF.00833.00833.1” start_scan=“833” end_scan=“833” precursor_neutral_mass=“1214.5937” assumed_charge=“1” index=“3222”> <search_result>
# File lib/protk/spectrum_query.rb, line 110 def as_pepxml() node = XML::Node.new('spectrum_query') node['spectrum']=self.spectrum_title node['retention_time_sec']=self.retention_time.to_s # Use the first psm to populate spectrum level values first_psm=self.psms.first c=first_psm.charge node['precursor_neutral_mass']=(first_psm.experimental_mz*c-c*HYDROGEN_MASS).to_s node['assumed_charge']=c.to_s self.psms.each do |psm| node << psm.as_pepxml end node end