HeaderHash = {} header_doublets = [ %w(SQTGenerator mspire), %w(SQTGeneratorVersion 0.3.1), %w(Database C:\Xcalibur\database\ecoli_K12_ncbi_20060321.fasta), %w(FragmentMasses AVG), %w(PrecursorMasses AVG), ['StartTime', ''], ['Alg-MSModel', 'LCQ Deca XP'], %w(DBLocusCount 4237), %w(Alg-FragMassTol 1.0000), %w(Alg-PreMassTol 25.0000), ['Alg-IonSeries', '0 1 1 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0'], %w(Alg-PreMassUnits ppm), ['Alg-Enzyme', 'Trypsin(KR/P) (2)'], ['Comment', ['ultra small file created for testing', 'Created from Bioworks .srf file']], ['DynamicMod', ['M*=+15.99940', 'STY#=+79.97990']], ['StaticMod', []], ].each do |double| HeaderHash[double[0]] = double[1] end TestSpectra = { :first => { :first_scan=>2, :last_scan=>2, :charge=>1, :time_to_process=>0.0, :node=>"TESLA", :mh=>390.92919921875, :total_intensity=>2653.90307617188, :lowest_sp=>0.0, :num_matched_peptides=>0, :matches=>[]}, :last => { :first_scan=>27, :last_scan=>27, :charge=>1, :time_to_process=>0.0, :node=>"TESLA", :mh=>393.008056640625, :total_intensity=>2896.16967773438, :lowest_sp=>0.0, :num_matched_peptides=>0, :matches=>[] }, :seventeenth => {:first_scan=>23, :last_scan=>23, :charge=>1, :time_to_process=>0.0, :node=>"TESLA", :mh=>1022.10571289062, :total_intensity=>3637.86059570312, :lowest_sp=>0.0, :num_matched_peptides=>41}, :first_match_17 => { :rxcorr=>1, :rsp=>5, :mh=>1022.11662242, :deltacn_orig=>0.0, :xcorr=>0.725152492523193, :sp=>73.9527359008789, :ions_matched=>6, :ions_total=>24, :sequence=>"-.MGT#TTM*GVK.L", :manual_validation_status=>"U", :first_scan=>23, :last_scan=>23, :charge=>1, :deltacn=>0.0672458708286285, :aaseq => 'MGTTTMGVK' }, :last_match_17 => {:rxcorr=>10, :rsp=>16, :mh=>1022.09807242, :deltacn_orig=>0.398330867290497, :xcorr=>0.436301857233047, :sp=>49.735767364502, :ions_matched=>5, :ions_total=>21, :sequence=>"-.MRT#TSFAK.V", :manual_validation_status=>"U", :first_scan=>23, :last_scan=>23, :charge=>1, :deltacn=>1.1, :aaseq => 'MRTTSFAK'}, :last_match_17_last_loci => {:reference =>'gi|16129390|ref|NP_415948.1|', :first_entry =>'gi|16129390|ref|NP_415948.1|', :locus =>'gi|16129390|ref|NP_415948.1|', :description => 'Fake description' } }