Mercurial > repos > galaxyp > pepquery2_show_sets
changeset 1:13f69b2a3ecb draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
author | galaxyp |
---|---|
date | Sun, 02 Oct 2022 23:49:41 +0000 |
parents | 61049b0e6b66 |
children | 4e763c258d5f |
files | macros.xml pepquery2.tar.gz pepquery2_show_sets.xml test-data/Uniprot.fasta test-data/iTRAQ_f4.mgf test-data/immunopeptidomics.mgf test-data/novel_peptides test-data/novel_proteins.fa |
diffstat | 8 files changed, 1309 insertions(+), 1 deletions(-) [+] |
line wrap: on
line diff
--- a/macros.xml Wed Sep 28 13:55:27 2022 +0000 +++ b/macros.xml Sun Oct 02 23:49:41 2022 +0000 @@ -66,6 +66,63 @@ #end def ]]></token> + <xml name="pepquerydb_options"> + <option value="all">all</option> + <option value="w">w:global proteome</option> + <option value="p">p:phosphorylation</option> + <option value="a">a:acetylation</option> + <option value="u">u:ubiquitination</option> + <option value="g">g:glycosylation</option> + <option value="Academia_Sinica_LUAD100_Phosphoproteome_PDC000220">Academia_Sinica_LUAD100_Phosphoproteome_PDC000220</option> + <option value="Academia_Sinica_LUAD100_Proteome_PDC000219">Academia_Sinica_LUAD100_Proteome_PDC000219</option> + <option value="CCLE_proteome_MSV000085836">CCLE_proteome_MSV000085836</option> + <option value="CPTAC">CPTAC</option> + <option value="CPTAC_CCRCC_Discovery_Study_Phosphoproteme_PDC000128">CPTAC_CCRCC_Discovery_Study_Phosphoproteme_PDC000128</option> + <option value="CPTAC_CCRCC_Discovery_Study_Proteome_PDC000127">CPTAC_CCRCC_Discovery_Study_Proteome_PDC000127</option> + <option value="CPTAC_GBM_Discovery_Study_Acetylome_PDC000245">CPTAC_GBM_Discovery_Study_Acetylome_PDC000245</option> + <option value="CPTAC_GBM_Discovery_Study_Phosphoproteome_PDC000205">CPTAC_GBM_Discovery_Study_Phosphoproteome_PDC000205</option> + <option value="CPTAC_GBM_Discovery_Study_Proteome_PDC000204">CPTAC_GBM_Discovery_Study_Proteome_PDC000204</option> + <option value="CPTAC_HNSCC_Discovery_Study_Phosphoproteome_PDC000222">CPTAC_HNSCC_Discovery_Study_Phosphoproteome_PDC000222</option> + <option value="CPTAC_HNSCC_Discovery_Study_Proteome_PDC000221">CPTAC_HNSCC_Discovery_Study_Proteome_PDC000221</option> + <option value="CPTAC_LSCC_Discovery_Study_Acetylome_PDC000233">CPTAC_LSCC_Discovery_Study_Acetylome_PDC000233</option> + <option value="CPTAC_LSCC_Discovery_Study_Phosphoproteome_PDC000232">CPTAC_LSCC_Discovery_Study_Phosphoproteome_PDC000232</option> + <option value="CPTAC_LSCC_Discovery_Study_Proteome_PDC000234">CPTAC_LSCC_Discovery_Study_Proteome_PDC000234</option> + <option value="CPTAC_LSCC_Discovery_Study_Ubiquitylome_PDC000237">CPTAC_LSCC_Discovery_Study_Ubiquitylome_PDC000237</option> + <option value="CPTAC_LUAD_Discovery_Study_Acetylome_PDC000224">CPTAC_LUAD_Discovery_Study_Acetylome_PDC000224</option> + <option value="CPTAC_LUAD_Discovery_Study_Phosphoproteome_PDC000149">CPTAC_LUAD_Discovery_Study_Phosphoproteome_PDC000149</option> + <option value="CPTAC_LUAD_Discovery_Study_Proteome_PDC000153">CPTAC_LUAD_Discovery_Study_Proteome_PDC000153</option> + <option value="CPTAC_PDA_Discovery_Study_Phosphoproteome_PDC000271">CPTAC_PDA_Discovery_Study_Phosphoproteome_PDC000271</option> + <option value="CPTAC_PDA_Discovery_Study_Proteome_PDC000270">CPTAC_PDA_Discovery_Study_Proteome_PDC000270</option> + <option value="CPTAC_Pediatric_Brain_Cancer_Pilot_Study_Phosphoproteome_PDC000176">CPTAC_Pediatric_Brain_Cancer_Pilot_Study_Phosphoproteome_PDC000176</option> + <option value="CPTAC_Pediatric_Brain_Cancer_Pilot_Study_Proteome_PDC000180">CPTAC_Pediatric_Brain_Cancer_Pilot_Study_Proteome_PDC000180</option> + <option value="CPTAC_Prospective_Breast_BI_Acetylome_PDC000239">CPTAC_Prospective_Breast_BI_Acetylome_PDC000239</option> + <option value="CPTAC_Prospective_Breast_BI_Phosphoproteome_PDC000121">CPTAC_Prospective_Breast_BI_Phosphoproteome_PDC000121</option> + <option value="CPTAC_Prospective_Breast_BI_Proteome_PDC000120">CPTAC_Prospective_Breast_BI_Proteome_PDC000120</option> + <option value="CPTAC_Prospective_Colon_PNNL_Phosphoproteome_PDC000117">CPTAC_Prospective_Colon_PNNL_Phosphoproteome_PDC000117</option> + <option value="CPTAC_Prospective_Colon_PNNL_Proteome_PDC000116">CPTAC_Prospective_Colon_PNNL_Proteome_PDC000116</option> + <option value="CPTAC_Prospective_Colon_VU_Proteome_PDC000109">CPTAC_Prospective_Colon_VU_Proteome_PDC000109</option> + <option value="CPTAC_Prospective_Ovarian_JHU_Glycoproteome_PDC000251">CPTAC_Prospective_Ovarian_JHU_Glycoproteome_PDC000251</option> + <option value="CPTAC_Prospective_Ovarian_JHU_Proteome_PDC000110">CPTAC_Prospective_Ovarian_JHU_Proteome_PDC000110</option> + <option value="CPTAC_Prospective_Ovarian_PNNL_Phosphoproteome_PDC000119">CPTAC_Prospective_Ovarian_PNNL_Phosphoproteome_PDC000119</option> + <option value="CPTAC_Prospective_Ovarian_PNNL_Proteome_Qeplus_PDC000118">CPTAC_Prospective_Ovarian_PNNL_Proteome_Qeplus_PDC000118</option> + <option value="CPTAC_TCGA_Breast_Cancer_Phosphoproteome_PDC000174">CPTAC_TCGA_Breast_Cancer_Phosphoproteome_PDC000174</option> + <option value="CPTAC_TCGA_Breast_Cancer_Proteome_PDC000173">CPTAC_TCGA_Breast_Cancer_Proteome_PDC000173</option> + <option value="CPTAC_TCGA_Colon_Cancer_Proteome_PDC000111">CPTAC_TCGA_Colon_Cancer_Proteome_PDC000111</option> + <option value="CPTAC_TCGA_Ovarian_Glycoproteome_PDC000112">CPTAC_TCGA_Ovarian_Glycoproteome_PDC000112</option> + <option value="CPTAC_TCGA_Ovarian_Phosphoproteome_PDC000115">CPTAC_TCGA_Ovarian_Phosphoproteome_PDC000115</option> + <option value="CPTAC_TCGA_Ovarian_Proteome_PDC000113_PDC000114">CPTAC_TCGA_Ovarian_Proteome_PDC000113_PDC000114</option> + <option value="CPTAC_UCEC_Discovery_Study_Acetylome_PDC000226">CPTAC_UCEC_Discovery_Study_Acetylome_PDC000226</option> + <option value="CPTAC_UCEC_Discovery_Study_Phosphoproteome_PDC000126">CPTAC_UCEC_Discovery_Study_Phosphoproteome_PDC000126</option> + <option value="CPTAC_UCEC_Discovery_Study_Proteome_PDC000125">CPTAC_UCEC_Discovery_Study_Proteome_PDC000125</option> + <option value="Deep_29_healthy_human_tissues_PXD010154">Deep_29_healthy_human_tissues_PXD010154</option> + <option value="GTEx_32_Tissues_Proteome_PXD016999">GTEx_32_Tissues_Proteome_PXD016999</option> + <option value="HBV_Related_Hepatocellular_Carcinoma_Phosphoproteome_PDC000199">HBV_Related_Hepatocellular_Carcinoma_Phosphoproteome_PDC000199</option> + <option value="HBV_Related_Hepatocellular_Carcinoma_Proteome_PDC000198">HBV_Related_Hepatocellular_Carcinoma_Proteome_PDC000198</option> + <option value="Oral_Squamous_Cell_Carcinoma_Study_Proteome_PDC000262">Oral_Squamous_Cell_Carcinoma_Study_Proteome_PDC000262</option> + <option value="Proteogenomics_of_Gastric_Cancer_Glycoproteome_PDC000216">Proteogenomics_of_Gastric_Cancer_Glycoproteome_PDC000216</option> + <option value="Proteogenomics_of_Gastric_Cancer_Phosphoproteome_PDC000215">Proteogenomics_of_Gastric_Cancer_Phosphoproteome_PDC000215</option> + <option value="Proteogenomics_of_Gastric_Cancer_Proteome_PDC000214">Proteogenomics_of_Gastric_Cancer_Proteome_PDC000214</option> + </xml> <xml name="modifications"> <option value="0">0: NO Modifications</option>
--- a/pepquery2_show_sets.xml Wed Sep 28 13:55:27 2022 +0000 +++ b/pepquery2_show_sets.xml Sun Oct 02 23:49:41 2022 +0000 @@ -1,4 +1,4 @@ -<tool id="pepquery2_show_sets" name="PepQuery Show Sets" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" python_template_version="3.5"> +<tool id="pepquery2_show_sets" name="PepQuery2 Show Sets" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" python_template_version="3.5"> <description>PepQueryDB datasets, Parameters, PTMs</description> <macros> <import>macros.xml</import> @@ -64,6 +64,7 @@ - *java -jar pepquery-2.0.2.jar -b show_full* - These datasets can be used for the **-b** option in **PepQuery**. - The parameter_set value can be used in the **-p** option in **PepQuery**. + - Columns: NO. dataset_name short_name parameter_set species data_type n_spectra n_ms_file data_link **PepQuery Predefined Parameter Sets** @@ -78,6 +79,7 @@ - Shows a table of the PTMs available - *java -jar pepquery-2.0.2.jar -printPTM* - The mod_id numbers can be used in the **-fixMOD** and **-varMOD** options in **PepQuery**. + - Columns: mod_id mod_name mod_mass mod_type mod_category unimod_accession ]]></help> <expand macro="citations" />
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Uniprot.fasta Sun Oct 02 23:49:41 2022 +0000 @@ -0,0 +1,20 @@ +>sp|Q8C4J7|TBL3_MOUSE Transducin beta-like protein 3 OS=Mus musculus GN=Tbl3 PE=2 SV=1 +MAETAAGLCRFKANYAVERKIEPFYKGGKAQLDQTGHYLFCVCGTKVNILDVASGALLRSLEQEDQEDITSFDLSPDDEVLVTASRALLLAQWAWREGTVTRLWKAIHTAPVASMAFDATSTLLATGGCDGAVRVWDIVQHYGTHHFRGSPGVVHLVAFHPDPTRLLLFSSAVDTSIRVWSLQDRSCLAVLTAHYSAVTSLSFSEGGHTMLSSGRDKICIVWDLQSYQTTRTVPVFESVEASVLLPEQPAPALGVKSSGLHFLTAGDQGILRVWEAASGQCVYTQPQMPGLRQELTHCTLARAADLLLTVTADHNLLLYEAHSLQLQKQFAGYSEEVLDVRFLGPSDSHIVVASNSPCLKVFELQTLACQILHGHTDIVLALDVFRKGWLFASCAKDQSIRIWKMNKAGQVACVAQGSGHTHSVGTICCSRLKESFLVTGSQDCTVKLWPLPEALLAKSTAADSGPVLLQAQTTRRCHDKDINSLAVSPNDKLLATGSQDRTAKLWALPQCQLLGVFTGHRRGLWNVQFSPTDQVLATASADGTIKLWALQDFSCLKTFEGHDASVLKVAFVSRGSQLLSSGSDGLLKLWTIKSNECVRTLDAHEDKVWGLHCSQLDDHAITGGSDSRIILWKDVTEAEQAEEQAKREEQVIKQQELDNLLHEKRYLRALGLAISLDRPHTVLTVIQAIRRDPEACEKLEATVLRLRRDQKEALLRFCVTWNTNSRHCHEAQAVLGVLLRHEAPEELLAYDGVRGSLEALLPYTERHFQRLSRTLQAATFLDFLWHNMKLSPCPAAAPPAL +>tr|Q80ZP8|Q80ZP8_MOUSE Armet protein OS=Mus musculus GN=Manf PE=1 SV=1 +METNNYLPSPPSFPVCISYLGRFYQDLKDRDVTFSPATIEEELIKFCREARGKENRLCYYIGATDDAATKIINEVSKPLAHHIPVEKICEKLKKKDSQICELKYDKQIDLSTVDLKKLRVKELKKILDDWGEMCKGCAEKSDYIRKINELMPKYAPKAASARTDL +>sp|Q60847|COCA1_MOUSE Collagen alpha-1(XII) chain OS=Mus musculus GN=Col12a1 PE=2 SV=3 +MQTRLPRALAALGVALLLSSIEAEVDPPSDLNFKIIDENTVHMSWERPVDPIVGYRITVDPTTDGPTKEFTLAASTTETLLSDLIPETQYVVTITSYNEVEESVPVIGQLTIQTGGPTKPGEKKPGKTEIQKCSVSAWTDLVFLVDGSWSVGRNNFKYILDFIVALVSAFDIGEEKTRVGVVQYSSDTRTEFNLNQYYRREDLLAAVKKIPYKGGNTMTGDAIDYLVKNTFTESAGSRAGFPKVAIIITDGKSQDEVEIPARELRNIGVEVFSLGIKAADAKELKQIASTPSLNHVFNVANFDAIVDIQNEIISQVCSGVDEQLGELVSGEEVIEPPSNLVVTELSSKYIRLSWDPSPSAVTGYKILLTPMAAGSRHHALSVGPQTTTLNVRDLTADTEYQISVFAMKGLTSSEPTSVMEKTQPMKVQVECSRGVDIKADIVFLVDGSYSIGIANFVKVRAFLEVLAKSFEISPNRVQISLVQYSRDPHTEFTLKEFNRVEDIIKAINTFPYRGGSTNTGKAMTYVREKIFVPNKGSRSNVPKVMILITDGKSSDAFRDPAIKLRNSDVEIFAVGVKDAVRSELEAIASPPAETHVFTVEDFDAFQRISFELTQSICLRIEQELAAIKKKAYVPPKDLRFTQVTANSFKAEWSPPGDNVFSYHVTYKDANGDDEVTVVEPASSTSVVLNNLRPETLYLVNVTAEYEDGFSVPITGEETTAEVKGVPRNLKVTDETTDSFKLTWSQAPGRVLRYRIRYRPVSGGESKEVSTPANQRRKTLENLTPDTKYEISVIAEYSSGPGSPLTGNAATEEVRGNPRDLRVSDATTSTLKLSWSRAPGKVKQYLVTYTPAAGGETQEVTVRGDTTTTMLRKLKEGTQYDLSVTALYASGAGEALSGKGSTLEERGSPQNLVTKDITDTSIGAYWTSAPGMVRGYRVSWKSLYDDIEAGETTLPGDAIHTMIENLQPETKYKISVFATYSSGEGEPVTGDATTELSQDSKILRVDEETEHTMRVTWKAAPGKVVNYRVVYRPQGGGRQMVAKVPPTVTSTVLKRLQPQTTYDITVLPMYKTGEGKLRQGSGTTASRFKSPRNLKTSDPTMSSFRVTWEPAPGEVKGYKVTFHPTGDDRRLGELVLGPYDNTVVLEELRAGTTYRVNVFGMFDGGESLPLVGQEMTTLSDTTVTPFLSSGMDCLTRAEADIVLLVDGSWSIGRANFRTVRSFISRIVEVFEIGPKRVQIALAQYSGDPRTEWQLNAHRDKKSLLQAVANLPYKGGNTLTGMALNFIRQQSFKTQAGMRPRARKIGVLITDGKSQDDVEAPSKKLKDEGVELFAIGIKNADEVELKMIATDPDDTHAYNVADFESLSKIVDDLTINLCNSVKGPGDLEAPTNLVISERTHRSFRVSWTPPSDSVDRYKVEYYPVSGGKRQEFYVSRLDTSTVLKDLKPETDYVVNVYSVVEDEYSEPLKGTEKTLPVPVVSLNIYDVGPTTMHVQWQPVGGATGYTVSYQPTRSPEGTKPKEMRVGPTVNDVQLTGLLPNTEYEVTVQAVLYDLTSEPAKAREVTLPLPRPQDVKLRDVTHSTMNVVWEPVLGKVRKYIVRYKTPDEEFKEVEVDRSRASTILKDLSSQTQYTVSVSAVYDEGTSPPATAYDTTRRVPAPTNLQFTEVTPESFRGTWDHGASDVSLYRITWAPVGNPDKMETILNGDENTLVFENLNPNTPYEVSITAIYPDESESEDLSGTERTLRLIPLTTQAPKSGPRNLQVYNATSNSLTVKWDPASGRVQKYRITYQPSTGEGNEQTITVGGRQNSVLLQKLKPDTPYTITVYSQYPDGEGGRMTGRGKTKPLNTVRNLRVYDPSTSSLSVRWDHAEGNPRQYKLFYAPTSGGPEELVPIPGNTNYAILRNLQPDTPYTITVVPVYTEGDGGRTSDTGRTLVRGLARNIQVYNPTPNSLDVRWDPAPGPVQQYRIVYSPVAGTRPSESIVVPGNTRTVHLERLIPDTPYSVNIVALYSDGEGNPSPSQGRTLPRSGPRNIRVFGETTNSLSVAWDHADGPVQQYRIIYSPTVGDPIDEYTTVPGRRNNVILQPLQPDTPYKITVIAIYEDGDGGHLTGNGRTVGLLPPQNIHIFDEWYTRFRVSWDPSPSPVLGYKIVYKPVGSNEPMEAFVGEVTSYTLHNLNPSTTYDVSVYAQYDSGLSVPLTDQGTTLYLNVTDLKTYQVGWDTFCVKWSPHRAATSYRLKLSPADGTRGQEITVRGSETSHCFTGLSPEAEYGVTVFVQTPNLEGPGVPIKEQTTVKPTEAPTEPPTPSPPPTIPPARDVCKGAKADIVFLTDASWSIGDDNFNKVVKFIFNTVGAFDEVNPAGIQVSFVQYSDEVKSEFKLNTYNDKALALGALQNIRYRGGNTRTGKALTFIKEKVLTWESGMRKNVPKVLVVVTDGRSQDEVKKAAFVIQQSGFSVFVVGVADVDYNELANIASKPSERHVFIVDDFESFEKIEDNLITFVCETATSSCPLIYLDGYTSPGFKMLEAYNLTEKNFASVQGVSLESGSFPSYSAYRLQKNAFINQPTAELHPNGLPPSYTIILLFRLLPETPSDPFAIWQITDRDYRPQVGVIADPSSKTLSFFNKDTRGEVQTVTFDTDEVKTLFYGSFHKVHIVVTSKSVKIYIDCYEIIEKDIKEAGNITTDGYEILGKLLKGERKSATFQIQSFDIVCSPVWTSRDRCCDIPSRRDEAKCPALPNACTCTQDSVGPPGPPGPAGGPGAKGPRGERGINGAVGPPGPRGDTGPPGPQGPPGPQGPNGLSIPGEQGRQGMKGDAGEPGLPGRTGTPGLPGPPGPMGPPGDRGFTGKDGAMGPRGPPGPPGSPGSPGVTGPSGKPGKPGDHGRPGQSGLKGEKGDRGDIASQNMMRAVARQVCEQLISGQMSRFNQMLNQIPNDYHSSRNQPGPPGPPGPPGSAGARGEPGPGGRPGFPGTPGMQGPPGERGLPGEKGERGTGSQGPRGPPGPPGPQGESRTGPPGSTGSRGPPGPPGRPGNSGIRGPPGPPGYCDSSQCASIPYNGQGYPEPYVPEGGAYLPEREPFIVPVEPERTAEYEDDYGADEPDQQHPDHMRWRRALRPGPAE +>tr|D6RFR8|D6RFR8_MOUSE Choline/ethanolaminephosphotransferase 1 OS=Mus musculus GN=Cept1 PE=4 SV=1 +MSGHRSTRKRCGDSHPESPVGFGHMSTTGHLCGLILPVLVAFSFTSLWMP +>tr|Q91VK2|Q91VK2_MOUSE Eef1d protein OS=Mus musculus GN=Eef1d PE=1 SV=1 +MATNFLAHEKIWFDKFKYDDAERRFYEQMNGPVTSGSRQLKVMLPNSPEALGQATPGTSSGPGASSGPGGDHSELIVRITSLEVENQNLRGVVQDLQQAISKLEARLSSLEKSSPTPRATAPQTQHVSPMRQVEPPTKKGATPAEDDEDKDIDLFGSDEEEEDKEAARLREERLRQYAEKKAKKPTLVAKSSILLDVKPWDDETDMAQLETCVRSIQLDGLVWGASKLVPVGYGIRKLQIQCVVEDDKVGTDLLEEEITKFEEHVQSVDIAAFNKI +>tr|F6WN43|F6WN43_MOUSE Iron-sulfur cluster co-chaperone protein HscB, mitochondrial (Fragment) OS=Mus musculus GN=Hscb PE=1 SV=1 +XQKSQTEKHFSDKHSTLVNDAYKTLQAPLTRGLYLVS +>sp|Q6NXK2|ZN532_MOUSE Zinc finger protein 532 OS=Mus musculus GN=Znf532 PE=1 SV=1 +MTMGDMKTPDFDDLLAAFDIPDMVDPKAAIESGHDDHESHIKQNAHVDDDSHTPSSSDVGVSVIVKNVRNIDSSEGVEKDGHNPTGNGLHNGFLTASSLDSYGKDGAKSLKGDTPASEVTLKDPAFSQFSPISSAEEFEDDEKIEVDDPPDKEEARAGFRSNVLTGSAPQQDFDKLKALGGENSSKTGVSTSGHTDKNKVKREAESNSITLSVYEPFKVRKAEDKLKENSEKMLESRVLDGKPSSEKSDSGIAAAASSKTKPSSKLSSCIAAIAALSAKKAASDSCKEPVANSREASPLPKEVNDSPKAADKSPESQNLIDGTKKASLKPSDSPRSVSSENSSKGSPSSPVGSTPAIPKVRIKTIKTSSGEIKRTVTRVLPEVDLDSGKKPSEQAASVMASVTSLLSSSASATVLSSPPRAPLQTAMVTSAVSSAELTPKQVTIKPVATAFLPVSAVKTAGSQVINLKLANNTTVKATVISAASVQSASSAIIKAANAIQQQTVVVPASSLANAKLVPKTVHLANLNLLPQGAQATSELRQVLTKPQQQIKQAIINAAASQPPKKVSRVQVVSSLQSSVVEAFNKVLSSVNPVPVYTPNLSPPANAGITLPMRGYKCLECGDAFALEKSLSQHYDRRSVRIEVTCNHCTKNLVFYNKCSLLSHARGHKEKGVVMQCSHLILKPVPADQMIVPPSSNTAASTLQSSVGAATHTVPKVQPGIAGAVISAPASTPMSPAMPLDEDPSKLCRHSLKCLECNEVFQDEPSLATHFQHAADTSGQQMKKHPCRQCDKSFSSSHSLCRHNRIKHKGIRKVYACSHCPDSRRTFTKRLMLERHIQLMHGIKDPDVKELSDDAGDVTNDEEEEAEIKEDAKVPSPKRKLEEPVLEFRPPRGAITQPLKKLKINVFKVHKCAVCGFTTENLLQFHEHIPQHRSDGSSHQCRECGLCYTSHGSLARHLFIVHKLKEPQPVSKQNGAGEDSQQENKPSPEDEAAEGAASDRKCKVCAKTFETEAALNTHMRTHGMAFIKSKRMSSAEK +>sp|P58006|SESN1_MOUSE Sestrin-1 OS=Mus musculus GN=Sesn1 PE=1 SV=3 +MRLAAASNEAYAASLAVSELLSCHQCGGDRGQDEELGIRIPRPLGHGPSRFIPEKEMLQVGSEDAQMHALFADSFAALGRLDNITLVMVFHPQYLESFLKTQHYLLQMDGPLPLHYRHYIGIMAAARHQCSYLVNLHVSDFLHVGGDPKWLNGLENAPQKLQNLGELNKVLAHRPWLITKEHIEGLLKAEEHSWSLAELVHAVVLLTHYHSLASFTFGCGISPEIHCDGGHTFRPPSVSNYCICDITNGNHSVDEMQVNSAGNASVSDSFFEVEALMEKMRQLQECREEEEASQEEMASRFEMEKRESMFVFSSDDDEVTPARDVSRHFEDTSYGYKDFSRHGMHVPTFRVQDYCWEDHGYSLVNRLYPDVGQLIDEKFHIAYNLTYNTMAMHKDVDTSMLRRAIWNYIHCMFGIRYDDYDYGEINQLLDRSFKVYIKTVVCTPEKVTKRMYDSFWRQFKHSEKVHVNLLLIEARMQAELLYALRAITRYMT +>tr|A0A1B0GSE5|A0A1B0GSE5_MOUSE Ubiquitin carboxyl-terminal hydrolase CYLD OS=Mus musculus GN=Cyld PE=1 SV=1 +MSSGLWSQEKVTSPYWEERIFYLLLQECSVTDKQTQKLLKVPKGSIGQYIQDRSVGHSRVPSTKGKKNQIGLKILEQPHAVLFVDEKDVVEINEKFTELLLAITNCEERLSLFRNRLRLSKGLQVDVGSPVKVQLRSGEEKFPGVVRFRGPLLAERTVSGIFFGVELLEEGRGQGFTDGVYQGKQLFQCDEDCGVFVALDKLELIEDDDNGLESDFAGPGDTMQVEPPPLEINSRVSLKVGESTESGTVIFCDVLPGKESLGYFVGVDMDNPIGNWDGRFDGVQLCSFASVESTILLHINDIIPDSVTQERRPPKLAFMSRGVGDKGSSSHNKPKVTGSTSDPGSRNRSELFYTLNGSSVDSQQSKSKNPWYIDEAFGGYLSEVVEENTPPKMEKEGLEIMIGKKKGIQGHYNSCYLDSTLFCLFAFSSALDTVLLRPKEKNDIEYYSETQELLRTEIVNPLRIYGYVCATKIMKLRKILEKVEAASGFTSEEKDPEEFLNILFHDILRVEPLLKIRSAGQKVQDCNFYQIFMEKNEKVGVPTIQQLLEWSFINSNLKFAEAPSCLIIQMPRFGKDFKLFKKIFPSLELNITDLLEDTPRQCRICGGLAMYECRECYDDPDISAGKIKQFCKTCSTQVHLHPRRLNHSYHPVSLPKDLPDWDWRHGCIPCQKMELFAVLCIETSHYVAFVKYGKDDSAWLFFDSMADRDGGQNGFNIPQVTPCPEVGEYLKMSLEDLHSLDSRRIQGCARRLLCDAYMCMYQSPTMSLYK +>sp|Q60880|OL141_MOUSE Olfactory receptor 141 OS=Mus musculus GN=Olfr141 PE=3 SV=2 +MRNITEATFFVLKGLTDNNELQIILFLLFLAIYIFTLIGNVGLIILVVGDSQLHNPMYCFLSVLSSVDACYSTDITPNMLVGFMSKSKIISFYGCATQMFLAVTFGTTECFLLAAMAYDRYVAIHDPLLYAVSMSPRVYIPLIIASYAGGIVHAIIHTVATFSLSFCRSNEVKHIFCDIPPLLAISCSETYVNELLLFFFVSFIELVTILIVLVSYAFILLSILKMNSSEGRRKVFSTCGAHLTAVSIYYGTILFMYVRPSSNYSLEHDMIVSTFYTIGIPMLNPIIYSLRNKDVKEAMKRVLRKKINIKHRIKKLNDFSVFLMP
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/iTRAQ_f4.mgf Sun Oct 02 23:49:41 2022 +0000 @@ -0,0 +1,753 @@ +COM=Conversion to mascot generic +CHARGE=2+ and 3+ +BEGIN IONS +PEPMASS=740.462952 +CHARGE=3+ +SCANS=277 +TITLE=Mo_Tai_iTRAQ_f4.00277.00277.3 +111.017494 85.198502 +112.240982 97.204994 +114.110542 168.274780 +115.107582 369.265503 +115.650398 84.005325 +117.296082 86.641182 +117.595589 82.974037 +120.657990 81.247025 +123.208023 88.939392 +126.714996 76.470490 +126.995316 81.651260 +129.369080 82.580246 +129.410400 90.817963 +132.734039 124.614685 +143.307465 87.847046 +178.966888 94.961578 +179.972855 89.878273 +183.256714 104.533241 +188.080093 123.015953 +212.102753 442.314178 +213.104324 84.621696 +233.001801 107.842552 +244.242355 102.163200 +281.079132 97.696259 +291.216034 243.588058 +309.183807 104.681831 +325.188324 282.187622 +345.226288 167.099777 +347.629883 88.744476 +357.377533 105.747673 +388.266266 1321.324341 +430.317047 94.113419 +458.310547 310.033203 +489.807434 100.114334 +490.700165 99.780800 +501.355072 164.809708 +517.545532 119.780251 +529.344849 395.354340 +529.599487 100.128220 +535.189514 101.317970 +657.405518 110.483780 +699.552063 101.576553 +736.234497 130.142654 +752.286011 111.876389 +756.181641 93.424118 +771.447876 505.619843 +776.288391 100.766472 +804.153748 99.673531 +840.959473 131.680695 +870.515198 596.371582 +871.524719 224.175797 +938.853760 112.032951 +983.596008 538.290894 +985.851929 109.672272 +999.183228 110.428818 +1006.435791 110.520103 +1098.597168 117.997414 +1102.095825 108.774673 +1154.624023 115.541344 +1179.853027 115.300293 +1188.129639 112.100708 +1328.742920 120.317390 +1535.381592 114.408516 +1578.387207 112.895355 +1696.229492 122.310112 +1865.684937 119.336388 +1891.318359 108.014870 +END IONS +BEGIN IONS +PEPMASS=596.816895 +CHARGE=2+ +SCANS=3419 +TITLE=Mo_Tai_iTRAQ_f4.03419.03419.2 +112.086548 2060.700684 +113.070908 591.413391 +114.110237 56227.753906 +115.107254 40715.632813 +116.110573 1253.002075 +124.087646 334.579498 +129.065491 335.658569 +129.682831 322.525909 +130.096924 432.119598 +135.059509 290.456573 +135.933548 316.717255 +141.158234 324.162384 +143.102081 1042.657227 +143.108337 991.155334 +145.106369 4993.616699 +145.112579 9580.018555 +146.116013 348.826385 +151.422028 339.654999 +152.189240 352.970459 +155.080811 320.076233 +156.112503 802.023926 +157.107681 821.452209 +158.092041 3474.361572 +163.116852 649.046387 +163.123260 573.363525 +163.860764 368.470825 +172.107132 547.236511 +173.091751 424.643494 +173.713470 325.451202 +174.132874 1181.682129 +174.138977 1457.565674 +175.118500 19209.625000 +176.121841 895.593079 +180.310822 302.979675 +185.090881 577.591370 +185.163925 667.431763 +189.086395 384.102600 +193.535583 299.085999 +198.085999 304.650818 +202.127197 776.504089 +202.133865 1047.345337 +205.158951 325.465912 +206.438217 407.963379 +215.112625 944.689087 +216.097275 349.972809 +216.178452 628.929138 +216.187073 1542.270264 +218.158371 710.665344 +219.997772 493.154785 +226.117889 345.579254 +227.530579 380.890015 +229.117340 398.719696 +231.095993 553.909363 +232.139694 11610.142578 +233.142776 541.624878 +240.132904 413.648132 +242.112793 354.861603 +242.148621 757.952148 +244.147949 340.507446 +244.181870 1394.464355 +244.207031 351.863098 +246.153458 2635.449219 +246.159882 2076.769775 +255.143784 947.695679 +260.123077 377.649994 +261.163208 358.264160 +268.138641 800.600464 +269.122375 665.910522 +269.220001 322.280029 +271.175507 2574.782715 +271.523804 335.527252 +272.170105 1414.468018 +274.152344 1745.901855 +279.726440 358.126434 +286.150787 2142.241211 +287.134125 399.345337 +287.153320 381.299835 +288.201630 1045.604614 +289.161011 642.731201 +297.189941 313.076477 +303.175964 1238.757568 +304.159454 718.974304 +309.070404 557.175232 +309.572754 389.136902 +315.128113 438.987366 +315.165070 394.897858 +318.127045 852.624146 +329.155304 359.383026 +330.138916 745.477112 +330.163727 587.573120 +332.788940 345.351257 +341.179504 329.149353 +343.196503 430.196503 +345.225616 879.687500 +346.184479 345.247650 +347.166504 2072.177246 +362.212433 790.440979 +370.243683 983.206055 +371.191467 312.021271 +386.165009 543.059692 +387.270721 3542.475586 +388.202606 326.927032 +388.272369 414.230347 +390.209930 1715.465820 +393.176727 381.699097 +394.099823 350.606934 +394.679169 691.222046 +399.232178 810.009094 +400.194336 1531.151733 +404.261292 599.445801 +404.777496 526.729858 +414.246185 936.942200 +416.259430 718.543945 +417.195190 570.186829 +418.203003 1665.865479 +431.276031 331.554321 +432.257965 1057.613647 +433.252106 753.843201 +443.218933 595.729858 +460.251099 370.717468 +461.245270 2433.910889 +468.288940 742.679199 +471.229858 880.132996 +485.281830 561.284607 +489.241028 1984.553345 +496.409393 339.580841 +497.196106 873.354187 +498.299805 496.056610 +503.294342 597.645569 +511.149689 353.095825 +515.327271 1117.143188 +516.309937 733.257690 +525.312256 617.688354 +528.284912 373.090637 +530.266785 1111.963867 +548.277344 1113.044312 +558.261963 1086.223267 +559.408081 405.176025 +560.315735 580.912170 +562.276917 335.608765 +564.272888 702.601379 +564.317993 354.550781 +565.308411 432.052307 +566.312805 402.429840 +574.804260 1090.369995 +576.274780 1495.794922 +577.275513 370.333984 +579.258240 488.650421 +586.329773 924.428833 +586.824341 763.742798 +587.328796 1918.114868 +587.812134 2967.306152 +588.309631 1265.537964 +594.755310 400.626099 +595.833008 10111.694336 +596.332397 7990.095215 +596.816284 25143.017578 +597.162964 543.470703 +597.319031 6673.245117 +599.348267 467.912262 +604.341736 1089.714600 +617.357422 1058.755737 +641.300598 425.232941 +643.383606 657.883423 +644.248352 793.406738 +648.339661 426.476868 +658.327637 1623.402832 +659.310608 1560.553711 +676.336731 2649.790771 +677.323730 1165.182739 +678.326416 408.390747 +689.357788 1332.395996 +690.355042 560.007202 +704.391846 2547.047119 +714.389771 542.943298 +730.419067 1871.138306 +731.424500 1454.675903 +759.392761 434.491913 +760.391541 1171.156616 +761.330750 659.255920 +762.337036 610.295776 +764.438049 1536.238647 +775.429077 2458.175049 +776.418152 731.787048 +777.417358 346.319275 +778.363281 793.077942 +788.353943 1701.587524 +788.440674 369.447174 +789.358887 436.979340 +797.422058 949.151123 +801.456482 2018.613281 +802.453003 1038.883423 +805.359070 696.158020 +806.363647 7031.405762 +807.365295 934.853821 +833.400391 617.893799 +847.425964 2543.552246 +848.427246 772.212708 +862.458740 2430.889893 +863.459778 620.660950 +875.450989 820.489624 +884.453247 1631.064331 +885.464966 571.145264 +887.421997 686.658630 +888.489502 705.498108 +889.477844 696.127258 +901.470032 1463.045898 +902.496460 1266.257813 +903.503845 698.129333 +904.442261 1038.665894 +905.432617 2050.675537 +919.481445 17119.210938 +920.485657 3316.843506 +927.563293 359.592102 +930.460938 851.465942 +931.465820 651.002625 +946.600769 384.072571 +948.455444 5336.049805 +948.531555 1947.049316 +949.462769 3090.331299 +982.512085 809.105103 +989.529297 2285.907715 +990.528381 1016.524780 +1002.532959 606.857239 +1004.502136 1042.749634 +1005.535583 806.390625 +1016.546387 611.005005 +1018.514465 890.451599 +1028.542358 881.013977 +1029.543945 751.198486 +1030.513184 4668.985840 +1031.514404 1352.692383 +1031.903931 531.207397 +1046.556763 10195.110352 +1047.549683 10636.351563 +1048.524292 27357.046875 +1049.521240 6269.379395 +1050.536743 817.544556 +1058.510132 602.429749 +1059.512817 806.930664 +1074.545654 670.111877 +1111.347778 383.419983 +1135.563232 590.543945 +1191.850830 385.573975 +1199.484863 378.615051 +END IONS +BEGIN IONS +PEPMASS=596.819946 +CHARGE=2+ +SCANS=4266 +TITLE=Mo_Tai_iTRAQ_f4.04266.04266.2 +112.086632 6256.541992 +113.106850 1200.777588 +114.110283 291903.562500 +115.107292 205773.750000 +116.070198 9381.364258 +118.625160 1156.606079 +121.846268 1173.889160 +125.281631 1188.704590 +125.512619 1180.603516 +129.112930 1283.168335 +130.097046 2611.965332 +139.049683 1483.984863 +143.102386 2415.365723 +143.108490 3660.921631 +145.107513 41579.554688 +145.112564 51772.304688 +145.989609 1184.887939 +146.110229 1508.351685 +146.116257 1975.773315 +156.112534 4143.445313 +157.107788 2432.481201 +157.133499 4839.485840 +158.091995 20283.333984 +159.076263 1429.104614 +160.629898 1191.417847 +160.667603 1158.045776 +163.141205 1376.479004 +171.075943 2648.332520 +173.109818 1193.917114 +174.247498 1186.561401 +175.118561 111334.921875 +176.121765 4773.125488 +185.127930 4566.888184 +186.087280 2240.476807 +188.765823 1949.310425 +197.055084 1148.568359 +201.086807 1300.619141 +204.149704 4709.141113 +215.261887 1138.700195 +216.096863 2107.551758 +229.128571 2454.522217 +232.146118 11049.886719 +235.964767 1241.629761 +244.147644 1253.920410 +246.154465 35329.953125 +246.159225 30148.449219 +247.158295 2926.364746 +269.124420 2670.603760 +271.175903 15609.878906 +272.144226 2525.952148 +272.179108 1290.274536 +274.153015 49036.832031 +275.149841 1420.499634 +275.158844 2601.916016 +282.143555 1384.911743 +287.134125 2822.687256 +288.118774 1334.078247 +288.202240 7083.480469 +299.169952 3699.752686 +303.176483 4045.447021 +309.154053 2151.240723 +315.129456 2996.855469 +317.192169 3992.310791 +317.232452 2488.542480 +324.201965 3728.532471 +327.216888 1340.828613 +328.181183 1415.114990 +328.658539 1123.353027 +332.220734 1271.077026 +339.128540 1531.501343 +341.227722 2042.626709 +342.177856 4745.867676 +342.213135 5806.857422 +342.680176 1253.430786 +345.227722 6977.128906 +346.227631 1417.045288 +351.181580 2593.887451 +355.195465 1410.892944 +359.239166 131598.187500 +360.241974 7494.800781 +371.703064 1232.090332 +372.227325 1063.592041 +374.165833 1593.182251 +378.128571 1477.884521 +379.190033 2009.720215 +383.951935 1167.295410 +385.217102 2160.023926 +387.088654 1181.940674 +387.237122 17242.986328 +388.270752 2137.781494 +399.691681 1897.866455 +402.981964 1403.929321 +410.200531 1473.366943 +412.146576 2755.270752 +416.178741 2011.218384 +416.264343 8740.199219 +418.226563 1685.087158 +418.503876 1317.556885 +420.906189 1468.914551 +428.260590 10760.098633 +435.430603 1235.131470 +439.228638 3462.746582 +443.721893 2301.887451 +444.259033 19408.619141 +445.910492 1555.476196 +446.234131 4515.197266 +452.213654 2224.779785 +453.244629 1466.538086 +456.254028 11374.475586 +457.236298 6505.964355 +460.252441 5049.501953 +461.199280 2477.136963 +461.257202 1220.848389 +473.282104 2383.668213 +474.265259 18389.148438 +474.347229 1335.815796 +475.268738 1576.179443 +487.300934 3418.517334 +497.238434 1320.483154 +501.193390 2363.973633 +501.281799 2294.974609 +503.293304 5307.897461 +506.236969 2415.770264 +507.221161 2141.243408 +513.280212 8979.766602 +513.520874 1255.733276 +515.397583 1283.797607 +518.220520 2333.504883 +524.244141 2337.022705 +531.288818 12616.497070 +532.292053 2919.514648 +543.240479 2208.620361 +557.302246 2227.384277 +558.287842 2620.560791 +564.282898 3061.575439 +564.783386 2126.333008 +567.635071 1528.431152 +572.318420 3588.414307 +574.332886 6353.251953 +575.275513 2038.389526 +575.317810 3120.288818 +575.813110 1280.671021 +578.257324 2028.924072 +578.808960 2204.031494 +582.297302 2370.353516 +586.805847 4880.877441 +587.321655 10993.145508 +587.815430 4840.189453 +588.315308 3987.762451 +590.326782 4101.055176 +595.808716 13652.512695 +596.326172 56460.394531 +596.820496 73703.304688 +597.325012 10493.157227 +600.311584 11091.863281 +603.256470 1375.655518 +614.278687 3044.310303 +617.342529 2611.205322 +618.321533 11686.435547 +620.278381 2692.279785 +631.304932 3489.041748 +642.333923 1463.009766 +643.356995 2144.768555 +657.334106 2211.700439 +661.360291 10726.361328 +662.340027 6749.304199 +683.348572 4233.550781 +686.357666 2806.179688 +699.368774 2373.727783 +701.356628 9326.515625 +702.359070 2700.029297 +704.322937 2700.242920 +711.198730 1564.977661 +713.357788 4241.387695 +714.358093 3410.055420 +719.369812 5286.986328 +731.363892 6544.432617 +732.374146 3260.844238 +735.998413 1453.624878 +737.383057 1431.205566 +742.338867 2484.998047 +745.386780 1396.323608 +748.392639 14782.207031 +749.381287 11169.833984 +753.351318 2966.480469 +759.413452 1382.535645 +773.555115 1370.550049 +775.356812 6727.154297 +776.364441 2762.483398 +788.388000 5857.976563 +789.387451 2614.257813 +805.414490 59632.191406 +806.403381 47422.496094 +807.409180 3204.095703 +815.398743 5865.412109 +816.380005 5343.647949 +818.412598 1527.970459 +828.385437 4316.563477 +832.396667 2064.102783 +833.411438 12668.332031 +834.397095 17313.691406 +835.401672 3613.251709 +836.389221 3638.201172 +837.386047 2715.394531 +846.392822 13464.495117 +847.398560 4506.627441 +854.086304 1410.738037 +859.436096 1434.342163 +869.417786 2140.526367 +874.438904 2894.846924 +876.452454 1540.078003 +877.441833 3256.387451 +884.456360 2767.287598 +886.439087 2288.198242 +887.428406 2524.863770 +900.501099 5556.912598 +901.481323 4092.769531 +902.469177 2563.342041 +904.448242 11652.262695 +905.443420 9426.941406 +918.441956 2336.740967 +918.500122 65733.820313 +919.490662 68634.601563 +920.492371 10120.558594 +928.484375 2104.793213 +959.473206 8787.570313 +960.478210 5710.833496 +970.508484 1540.445313 +983.451904 7412.620117 +984.465027 4973.284180 +986.509155 2271.588623 +1003.521057 3541.061523 +1004.511292 2234.473145 +1012.509521 4455.150879 +1013.487671 2531.277588 +1017.535645 3410.644043 +1018.537476 2418.473877 +1028.498779 9095.230469 +1029.529297 14408.421875 +1030.519287 22318.728516 +1031.523926 3820.234375 +1046.506348 27647.564453 +1047.543335 99298.734375 +1048.535767 93244.648438 +1049.536743 15710.309570 +1059.525513 2875.163330 +END IONS +BEGIN IONS +PEPMASS=593.990784 +CHARGE=3+ +SCANS=8055 +TITLE=Mo_Tai_iTRAQ_f4.08055.08055.3 +110.070747 1733.929932 +112.086494 691.703613 +114.110207 40570.949219 +115.107246 29732.470703 +116.110382 1231.719482 +116.696106 632.937317 +117.730354 471.628967 +124.086235 1593.573853 +127.085846 719.726074 +127.191467 500.313782 +129.064926 511.926025 +129.129395 1360.861450 +136.075058 651.347961 +137.249298 489.442627 +143.102310 528.153137 +143.108459 983.870300 +145.106354 5602.307617 +145.112564 9344.262695 +155.080536 649.520813 +158.091660 1477.552002 +162.132690 594.649658 +162.139435 534.015381 +173.417542 600.326477 +175.118454 8973.086914 +176.120972 555.123108 +178.371323 511.018158 +183.148560 607.971863 +186.086960 652.429138 +188.148453 816.252747 +188.154907 1523.843628 +199.106628 571.695862 +206.436493 1035.268555 +212.269272 591.934021 +214.144180 900.448364 +216.150284 2525.229248 +227.101578 976.558044 +230.201385 1142.054443 +242.148682 1397.006470 +243.107559 677.465942 +243.133698 1371.145142 +244.138000 891.661987 +244.180954 1242.425537 +246.153366 2297.038574 +254.730103 532.118347 +255.144455 987.050415 +256.688324 533.629761 +257.158569 875.375305 +272.170959 2529.128906 +272.908997 502.400146 +274.186554 13132.186523 +287.221313 1091.025513 +291.214172 2984.217773 +300.154175 1022.979675 +308.174438 1182.723389 +311.169250 569.517273 +315.217712 1153.479858 +320.089233 1019.081665 +329.195770 1409.046875 +330.298096 523.613220 +331.206055 940.368896 +345.223816 1784.856079 +348.235840 683.953247 +348.581970 560.229858 +368.226654 641.918640 +371.281464 720.593628 +372.184631 537.945129 +378.248566 1106.098633 +379.243256 531.171021 +386.216095 1908.169556 +388.270569 1083.493164 +399.715698 3641.003906 +402.287842 531.509766 +407.745789 883.040344 +407.965881 569.346497 +412.240295 632.917664 +415.698425 1032.095337 +428.227112 4306.428711 +428.261108 1225.675537 +428.725769 881.870422 +429.260712 3728.557373 +429.697418 1331.391235 +445.288818 567.610901 +448.071899 583.037292 +455.416718 647.968628 +464.268341 654.572754 +470.773743 1128.713501 +472.250061 3780.671875 +473.252808 1594.682739 +473.278687 2412.803467 +481.325806 1259.738159 +484.769775 1385.499390 +485.271332 613.115601 +491.173309 585.062622 +491.329742 911.582214 +497.316864 671.196655 +499.275757 1172.343262 +499.337067 1123.132935 +500.283569 1279.582520 +500.335480 1331.533203 +501.255157 671.378113 +506.350983 526.060120 +515.294067 595.644592 +520.279419 564.501221 +528.327942 1453.140137 +528.796143 1023.938416 +530.344971 699.704163 +534.306091 632.479187 +556.821533 578.409241 +557.308167 996.385559 +562.368835 1061.597290 +562.630188 599.749634 +563.383240 597.036011 +572.329102 704.391174 +575.329651 597.594116 +578.266602 569.538757 +584.834595 1397.603638 +585.341125 596.237427 +585.828064 634.964417 +592.849548 948.947998 +593.338867 8331.064453 +593.809753 1243.525757 +593.850098 3570.665283 +594.347534 5469.266113 +601.328064 1251.846069 +612.421753 868.523682 +615.363525 1159.816772 +635.785217 692.349304 +645.406799 926.912354 +647.354187 1344.844971 +660.368103 1515.965698 +667.035950 629.281006 +678.553528 864.705811 +686.401672 1415.408081 +687.406799 956.555176 +701.317932 638.253906 +713.436462 577.175781 +714.438171 979.025330 +721.332031 1133.021240 +734.864807 659.578308 +758.495483 1101.013306 +759.436768 1680.954834 +814.488220 766.761841 +825.458008 2101.567139 +873.476807 3603.638672 +876.500122 1146.794800 +877.493591 2904.569092 +878.501526 2154.676025 +879.500305 1179.630981 +896.207703 648.875244 +914.434082 1090.736938 +914.517822 1977.191284 +928.515015 1886.298706 +930.495483 1311.800903 +952.429504 625.323181 +965.766296 606.633911 +972.546692 2437.769531 +999.546753 632.162537 +1026.609131 980.280151 +1040.573853 1742.042114 +1041.564087 3165.200439 +1042.581787 3063.955566 +1043.577515 6683.765625 +1045.518311 945.700500 +1147.621704 832.881104 +1148.635742 1159.247681 +1467.104980 653.335815 +1533.474243 661.718018 +1620.307251 616.238525 +1664.717529 648.275024 +END IONS
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/immunopeptidomics.mgf Sun Oct 02 23:49:41 2022 +0000 @@ -0,0 +1,464 @@ +BEGIN IONS +TITLE=controllerType=0 controllerNumber=1 scan=19846 +RTINSECONDS=2320.06458 +PEPMASS=383.529876708984 +CHARGE=3+ +84.0449677 46347.0703125 +84.0813446 85493.9453125 +86.0719299 7175.7060546875 +86.0969772 135316.21875 +87.0795746 57686.53515625 +89.5852509 6013.955078125 +91.0547638 26870.0390625 +100.0871506 10508.3408203125 +101.0712357 8028.2236328125 +102.0548477 7109.3364257813 +110.071434 72448.5390625 +112.0872192 68537.90625 +116.0708847 66026.75 +116.6829987 7043.2426757813 +119.0492325 28436.21484375 +120.0808487 28182.986328125 +123.0442657 6282.2768554688 +127.0979004 32528.88671875 +129.1026154 74929.3046875 +129.1124268 15517.341796875 +132.1023407 7616.8291015625 +136.075592 267654.46875 +137.0793915 44604.71484375 +140.0816498 8406.1591796875 +145.4732819 7887.0209960938 +147.0440521 10594.44921875 +147.1123962 10032.357421875 +155.0816803 6984.1274414063 +157.1085968 34948.90234375 +165.0540466 39318.01953125 +167.0815887 29707.244140625 +168.085022 6312.9848632813 +182.0816193 28942.546875 +183.1242371 7433.0512695313 +183.1487885 8203.357421875 +193.0978699 6826.6010742188 +195.0764313 23284.12109375 +195.1120148 9413.0185546875 +197.1287689 31395.33203125 +198.132309 9345.76953125 +199.7877808 5461.4345703125 +213.0883179 6907.8862304688 +217.1338043 13646.8583984375 +219.1365814 28881.201171875 +226.1663971 13425.7822265625 +244.165451 62294.3984375 +245.1695709 14033.3974609375 +249.673233 32895.77734375 +254.1607361 72503.140625 +255.1666107 6893.8310546875 +259.0739441 12570.2685546875 +260.0770569 6460.126953125 +271.1891785 9831.76953125 +275.1358337 11066.83984375 +304.6169434 9695.1650390625 +308.5368347 10936.181640625 +308.8744507 6715.9243164063 +311.181427 8423.06640625 +326.7102356 8839.98828125 +328.2081909 21860.5078125 +329.8709106 7965.8657226563 +330.2044983 8398.9033203125 +331.1609192 7686.9453125 +333.8371277 25565.46484375 +334.1699219 7952.1284179688 +339.8395081 31163.154296875 +340.1759949 26240.822265625 +340.6808167 36919.71484375 +342.1118774 7167.1025390625 +342.1811218 10171.65234375 +346.5349731 7574.7329101563 +347.7381592 9350.056640625 +348.4993286 7552.921875 +353.6708679 38643.10546875 +354.1769409 6889.3901367188 +354.2250671 21217.833984375 +361.6572571 6491.6513671875 +362.1836853 6020.7607421875 +363.1853333 8824.9462890625 +377.2033691 6569.89453125 +381.2067871 7040.6538085938 +383.2186279 68377.4609375 +383.3130188 116036.234375 +383.526886 42512.03125 +385.2560425 10095.142578125 +398.2119751 25488.392578125 +401.2857666 10739.900390625 +410.2869873 10938.7431640625 +417.2008667 6045.6533203125 +417.696991 8364.318359375 +418.2027893 8019.1762695313 +426.2158203 9391.662109375 +428.8858948 6009.2065429688 +431.206543 9535.4150390625 +451.2514343 6296.6337890625 +465.7139282 6659.9360351563 +466.2247925 8575.556640625 +475.2226257 6292.1694335938 +488.2868042 7346.7373046875 +489.2886047 30622.896484375 +491.2367249 8038.7392578125 +492.2262268 27380.2578125 +496.3111572 9502.2919921875 +498.3398438 83627.8203125 +499.348114 9477.421875 +502.2510376 7497.5302734375 +502.8083191 7691.1728515625 +518.2723389 29630.49609375 +519.2763672 13119.953125 +656.3309937 6904.6923828125 +673.3564453 8458.634765625 +END IONS +BEGIN IONS +TITLE=controllerType=0 controllerNumber=1 scan=19905 +RTINSECONDS=2325.98454 +PEPMASS=534.22802734375 +CHARGE=2+ +74.0607834 11525.5478515625 +80.820961 1134.3864746094 +84.0448685 11916.904296875 +84.0813599 24140.73046875 +86.0719757 1059.546875 +86.0969696 48334.11328125 +87.0556259 2711.1242675781 +87.0794067 2536.3103027344 +87.099884 1441.4647216797 +88.0397949 1339.0686035156 +89.0711365 5940.744140625 +95.5842514 960.4934692383 +100.0871887 1435.1180419922 +101.0711517 11117.935546875 +102.0551834 7843.828125 +104.0528793 2629.0866699219 +107.0505447 1256.6583251953 +107.47509 1007.3388061523 +110.0714264 24055.96484375 +112.087204 2137.0339355469 +115.0872574 2242.5446777344 +119.0812531 1181.8509521484 +120.0808029 19385.041015625 +127.0867386 5999.564453125 +129.065918 4383.1904296875 +129.1022491 33245.55859375 +130.0497742 1252.8232421875 +131.0811462 1228.9758300781 +136.0639343 1478.1802978516 +136.0756531 41457.83203125 +137.0790558 2168.0249023438 +141.0658417 2161.6188964844 +141.1025543 1396.7373046875 +145.0974884 1154.3653564453 +152.0713348 1227.7298583984 +155.0810394 2207.4116210938 +157.0602112 1539.4930419922 +157.08461 1485.4039306641 +157.1333466 2088.0070800781 +159.0758057 2233.6645507813 +159.1125183 1578.9256591797 +165.0541687 14583.548828125 +166.085968 18895.611328125 +169.1333466 10393.7421875 +171.0764618 1893.2116699219 +172.1085052 1334.9647216797 +180.0661316 2653.572265625 +182.0809937 32101.177734375 +183.076828 2454.3715820313 +183.1490936 1469.2236328125 +185.077774 2541.4504394531 +185.0941162 1574.8117675781 +185.1289368 1785.0300292969 +186.087677 2044.2495117188 +187.1076813 2141.6088867188 +198.0757141 1864.1412353516 +199.0702972 1590.9162597656 +200.10289 5724.33203125 +201.1239624 2084.2858886719 +203.0672455 1515.2619628906 +207.1134491 2512.40625 +213.0875549 1643.7739257813 +215.1399994 2060.5869140625 +216.0997772 1206.705078125 +216.1348419 1320.7780761719 +217.1352234 8159.3056640625 +220.1828613 3609.7250976563 +220.2030029 1611.9375 +221.1286774 11386.6640625 +223.1070251 5323.6176757813 +226.1182861 4679.68359375 +230.1152496 2067.7849121094 +235.1436768 2349.3061523438 +236.1468964 1393.5037841797 +237.1257629 2463.6643066406 +240.1340179 1668.9652099609 +245.13237 1704.8936767578 +247.1428375 1828.2724609375 +249.0960083 1496.8309326172 +249.1233063 1982.8770751953 +254.1599274 1287.4233398438 +262.6038818 2132.6999511719 +267.1069946 1409.6979980469 +267.1347351 4155.18359375 +270.1081848 2705.4152832031 +270.6130981 2401.3571777344 +271.1154175 1773.4208984375 +277.6126709 1322.0480957031 +283.1292419 6684.1733398438 +285.2037659 1555.5247802734 +290.6115112 1747.0528564453 +293.1127625 1832.3509521484 +295.0375366 1139.5216064453 +298.6217346 2137.7734375 +299.1255493 1164.4644775391 +299.6296692 5615.0180664063 +304.6210938 1524.0411376953 +313.6674805 1478.9112548828 +314.6342773 1185.4146728516 +341.1139832 1686.7280273438 +350.1498108 2248.2668457031 +350.6541443 9815.0107421875 +351.1555786 4738.2700195313 +351.6599426 1457.0270996094 +355.647583 1925.8502197266 +358.1459961 1697.1291503906 +364.1647644 2035.076171875 +364.6515198 2264.7180175781 +365.6571045 2539.4509277344 +366.1519775 1271.5914306641 +368.1899719 2488.8234863281 +370.1492615 1207.8226318359 +372.6609192 1450.5041503906 +373.1611023 15705.77734375 +373.6647339 6134.396484375 +376.5512695 1535.8891601563 +379.1600952 1519.6890869141 +379.6573486 1735.7387695313 +382.6697693 1877.0784912109 +384.6668396 1368.4975585938 +386.1818542 4932.7622070313 +388.0981445 1814.0821533203 +388.1616516 1639.3973388672 +391.6724243 1722.4331054688 +394.6583252 2745.8254394531 +395.1569519 1794.5734863281 +399.1826477 1813.751953125 +399.6832886 2202.8469238281 +400.1859131 27261.03515625 +400.6886902 11703.2177734375 +405.1769714 1845.1595458984 +406.1872559 5626.5249023438 +409.1769714 1553.7102050781 +410.2037659 9268.25390625 +410.7049255 2537.4650878906 +412.1827393 2462.1599121094 +415.1905518 4857.001953125 +417.1824646 2098.9926757813 +423.1886902 1632.6658935547 +428.6966248 5038.703125 +429.1943359 2628.6257324219 +430.1769409 2335.6350097656 +438.2408752 2383.4521484375 +439.1846313 18274.087890625 +439.6879578 7237.6088867188 +443.2449951 1595.5926513672 +445.186676 4973.349609375 +445.6867676 2095.1735839844 +446.1969604 1545.0024414063 +450.6947937 2427.0949707031 +452.2566528 1537.7886962891 +454.1917114 1963.4315185547 +458.1747131 1448.1218261719 +461.2607727 1722.7113037109 +465.6973877 1562.3093261719 +466.1947937 2171.53515625 +467.2056274 10621.619140625 +467.7023621 9091.3349609375 +468.1976929 1944.4018554688 +468.267395 4734.5639648438 +469.273468 1822.9508056641 +473.1994934 1352.2316894531 +473.6989746 1343.6881103516 +475.1999512 5885.4248046875 +475.7026672 6054.9418945313 +476.2094421 4897.3432617188 +476.7133789 1982.70703125 +478.2355347 5131.12109375 +481.1903992 2123.00390625 +481.7055664 2059.3818359375 +482.2129822 6752.0048828125 +482.7108459 2522.6437988281 +487.3049316 2514.1276855469 +490.7094421 2462.6801757813 +495.70578 5170.00390625 +501.7067566 1650.3034667969 +501.7937622 7237.1142578125 +502.296875 2418.212890625 +504.21698 9748.248046875 +504.7191772 6072.6821289063 +510.2188721 6962.052734375 +519.2223511 8869.3369140625 +519.7225342 4718.7387695313 +520.2103271 16541.169921875 +520.7109985 2730.8581542969 +524.7560425 1626.7911376953 +526.2027588 2263.7565917969 +526.7091675 1732.9114990234 +533.8047485 10959.140625 +534.2905273 10083.3759765625 +534.7897339 30336.474609375 +535.220459 1591.669921875 +539.1575928 2096.6694335938 +551.1583862 2616.3996582031 +569.1661377 2812.7487792969 +641.3411255 4872.2426757813 +643.3137207 1385.0288085938 +652.3312378 1978.6364746094 +668.3342896 1452.5230712891 +682.3339233 1898.4290771484 +683.3429565 1458.1762695313 +696.3226318 1923.4722900391 +784.5008545 6190.7158203125 +790.3800659 2451.6320800781 +819.3933716 4207.2880859375 +820.4173584 2018.9385986328 +824.4292603 11264.025390625 +869.4186401 2067.2492675781 +882.4277954 1771.7611083984 +884.423584 1570.5802001953 +885.4588623 2440.49609375 +955.4633789 7311.4379882813 +969.456604 2234.6115722656 +END IONS +BEGIN IONS +TITLE=controllerType=0 controllerNumber=1 scan=19944 +RTINSECONDS=2329.22502 +PEPMASS=516.783386230469 +CHARGE=2+ +72.0815811 27197.671875 +74.0610199 4197.1069335938 +84.0451736 15634.2109375 +84.0815887 26392.96875 +86.0969391 88900.34375 +87.0557785 6371.4975585938 +87.1004715 5257.353515625 +88.0400085 4621.7041015625 +101.0712738 5125.9956054688 +102.0554962 23467.248046875 +107.0487747 4362.7963867188 +110.0715256 339710.21875 +111.0756683 11064.5341796875 +112.0868912 4111.2602539063 +116.0706635 55538.3046875 +120.080925 26441.748046875 +127.0875549 4627.248046875 +129.102829 26702.419921875 +132.1021881 5254.7578125 +133.0611267 3728.3393554688 +136.0756378 91992.3203125 +137.0794525 4378.3774414063 +138.0666656 7507.4252929688 +145.5386963 6195.8090820313 +157.1097717 3760.1879882813 +159.0761414 3559.2092285156 +166.086441 5174.974609375 +169.0968933 6497.8017578125 +173.09198 66982.4140625 +180.113205 6698.7612304688 +181.0975647 20135.044921875 +182.081604 7997.3110351563 +183.1493378 16863.73046875 +197.1275787 6301.8452148438 +202.0863037 3530.7102050781 +208.1073456 25956.681640625 +209.0920258 14764.1796875 +218.0425568 28767.90234375 +229.1558533 5750.8208007813 +233.0927124 4071.7492675781 +235.1186981 36820.6640625 +243.1336212 24782.921875 +267.1106567 5503.90625 +278.1124878 4135.1215820313 +286.1757813 15374.74609375 +304.1647339 5803.3159179688 +306.0768738 3530.1059570313 +318.1595459 5520.9609375 +330.1925964 14000.76171875 +344.6773376 3574.6950683594 +356.2409973 12024.30078125 +360.2006531 46041.26171875 +360.7026062 19602.333984375 +363.6889648 16339.1533203125 +364.1605225 3471.5439453125 +365.1912537 6514.8598632813 +365.6857605 3434.3635253906 +372.6929016 23375.6328125 +374.1980286 240148.9375 +374.6990051 88531.46875 +377.6847839 18261.869140625 +378.1841431 4990.4458007813 +384.2341614 28763.40234375 +386.6903687 14500.7939453125 +398.2019958 16223.544921875 +416.7427673 8074.5288085938 +423.2320251 4371.8520507813 +425.1813965 4210.1938476563 +430.7402344 27642.935546875 +431.2440491 13417.583984375 +442.2075195 7980.6059570313 +442.2713928 4595.1391601563 +442.7108459 5553.3310546875 +448.2337952 8279.3447265625 +448.7311707 5624.8461914063 +451.2121582 8333.0185546875 +451.7119141 4570.4624023438 +457.7275391 17480.1015625 +459.2512817 48900.5546875 +459.7523804 29497.771484375 +460.2167053 5359.6381835938 +498.7574158 3551.4931640625 +499.2520752 4235.8666992188 +507.2600708 53245.89453125 +507.7609253 46670.12890625 +508.2612305 19332.828125 +516.2666626 4137.541015625 +516.7805176 58299.46875 +517.281189 36883.984375 +529.3075562 16754.47265625 +556.2666626 3977.314453125 +582.3347168 7930.2817382813 +599.2963867 5640.9077148438 +610.3297729 130150.6640625 +611.3359375 27716.517578125 +617.3026733 19406.369140625 +618.3014526 5174.8359375 +626.3168335 4723.9135742188 +635.3135986 17860.3515625 +636.3198853 4314.6948242188 +643.3532715 23298.431640625 +644.3613892 4250.1220703125 +667.2992554 8192.587890625 +685.3235474 3758.7578125 +719.3981934 13301.7373046875 +720.395752 4378.724609375 +729.3352051 7709.2412109375 +747.3901367 84267.8828125 +748.3964233 29535.37109375 +754.3642578 5714.333984375 +755.3690186 3943.5083007813 +764.3662109 6421.2250976563 +772.3707886 3762.69140625 +789.3843384 4607.880859375 +791.3812256 3588.5078125 +798.3960571 6360.8334960938 +806.4115601 30085.07421875 +832.4921875 4568.6284179688 +833.508728 4909.1865234375 +860.4714355 13005.275390625 +895.4536743 16561.779296875 +896.4584961 4322.0971679688 +END IONS