{"results": [{"Delta Mass": 0, "GNPSLibraryAccession": "CCMSLIB00000001547", "USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001547", "Charge": 1, "Cosine": 1, "Matching Peaks": 23, "Unit Delta Mass": 0, "Dataset": "GNPS Library", "Status": "HasID", "Adduct": "M+H", "CompoundName": "3-Des-Microcystein_LR", "Query Filename": "temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf", "Query Scan": 1, "Index UnitPM": 981, "Index IdxInUnitPM": 190, "Filtered Input Spectrum Path": "temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/0.json"}, {"Delta Mass": 0, "GNPSLibraryAccession": "CCMSLIB00012060380", "USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00012060380", "Charge": 1, "Cosine": 1, "Matching Peaks": 23, "Unit Delta Mass": 0, "Dataset": "GNPS Library", "Status": "HasID", "Adduct": "M+H", "CompoundName": "Test", "Query Filename": "temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf", "Query Scan": 1, "Index UnitPM": 981, "Index IdxInUnitPM": 198, "Filtered Input Spectrum Path": "temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/0.json"}], "timing": [{"desc": "prep", "timing": 0.0008940696716308594}, {"desc": "Search", "timing": 0.4017601013183594}, {"desc": "Parse Query", "timing": 9.679794311523438e-05}, {"desc": "Parse Query 2", "timing": 0.0014781951904296875}, {"desc": "Get DB Info", "timing": 9.107589721679688e-05}, {"desc": "Demangle", "timing": 0.004804372787475586}, {"desc": "Group", "timing": 0.01734638214111328}, {"desc": "Enrich datasets", "timing": 0.025721073150634766}], "grouped_by_unit_delta_mass": [{"Frequency": 2, "Unit Delta Mass": 0}], "grouped_by_dataset": [{"Frequency": 2, "Dataset": "GNPS Library"}], "grouped_by_dataset_unit_delta": [{"Frequency": 2, "Dataset": "GNPS Library", "Unit Delta Mass": 0}], "metadata_groupings": [["GNPSLibraryAccession", [{"Frequency": 1, "GNPSLibraryAccession": "CCMSLIB00000001547", "Best Cosine": 1, "Best Delta Mass": 0, "Best USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001547", "Best Charge": 1}, {"Frequency": 1, "GNPSLibraryAccession": "CCMSLIB00012060380", "Best Cosine": 1, "Best Delta Mass": 0, "Best USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00012060380", "Best Charge": 1}]], ["Adduct", [{"Frequency": 2, "Adduct": "M+H", "Best Cosine": 1, "Best Delta Mass": 0, "Best USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001547", "Best Charge": 1}]], ["CompoundName", [{"Frequency": 1, "CompoundName": "3-Des-Microcystein_LR", "Best Cosine": 1, "Best Delta Mass": 0, "Best USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000001547", "Best Charge": 1}, {"Frequency": 1, "CompoundName": "Test", "Best Cosine": 1, "Best Delta Mass": 0, "Best USI": "mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00012060380", "Best Charge": 1}]]], "log": "bin/main_execmodule ExecIndex bin/generic_params -autoINPUT_INDEX libraries/gnpslibrary/build_index -autoOUTPUT_RESULTS temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.tsv -autoINPUT_SPECS temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf -autoPM_TOLERANCE 0.05 -autoFRAG_TOLERANCE 0.05 -autoDELTA_MZ_ABOVE 0 -autoDELTA_MZ_BELOW 0 -autoTHETA 0.7 -autoSPECTRUM_DISK_ACCESS_POLICY DISK -autoINDEX_DISK_ACCESS_POLICY DISK -autoOUTPUT_FILTERED_QUERIES_JSON_FOLDER temp/queries/9e/9ea87eacc7d1481b911ce6875029977b -autoDELTA_F 0.2 -autoVALIDATE 0\n---\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 151\nDEBUG: /_sps/src/ExecFramework/ExecSpecTagGen.cpp : 20\nDEBUG: /_sps/src/ExecFramework/ExecSpecTagGen.cpp : 20\nDEBUG: /_sps/src/ExecFramework/ExecPenaltyGen.cpp : 26\nDEBUG: /_sps/src/ExecFramework/ExecPenaltyGen.cpp : 26\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 155\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 166\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 176: jobDoneFile = ExecIndex__results.param\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 225: NORMAL EXECUTION\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 226\nDEBUG: /_sps/src/proj/indexing/Index.h : 520: Index version not compatible with this binary\nDEBUG: /_sps/src/proj/indexing/Index.h : 522: Loaded processing parameters\nDEBUG: /_sps/src/proj/indexing/Index.h : 368: Size: 416\nDEBUG: /_sps/src/proj/indexing/Index.h : 485: Loaded filenames\nDEBUG: /_sps/src/proj/indexing/Index.h : 512: Not loading annotations in advance, will do so per-spectrum\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 899: Loaded 10000 bins!\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 1031: 100\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 1040: temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf: 1\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 1055: Loaded 1 input spectra.\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 235\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 238: Began Invoke of: [ExecIndex] at: Tue May  6 05:15:55 2025\n\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 83: Start\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 733: m_params.getValueBool(\"REFERENCE_RUN\", false) = 0\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 763: Running with 0.05 Da parent mass tolerance (1 index units)\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 764: Running with 0.05 Da fragment mass tolerance (1 index units)\nDEBUG: /_sps/src/ExecFramework/proj/indexing/ExecIndex.cpp : 793: Writing out filtered queries\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 38: PM Range for Query Runner:0 - 10000\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 167: Loaded: 980\nDEBUG: /_sps/src/proj/indexing/Index.h : 312: Inputting  \"libraries/gnpslibrary/build_index/980.mxc\"\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 218: temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf:1 @ 981.5\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 291: Ran in 47/840 us and 23 is the size of q (21 us to determine candidates/14 us for cosine) and generated 0 true final_candidate_count (0 tp)/0 candidates in 0/0 list accesses out of 0 total spectra in search space searched in 0 us.\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 312: Total reads: 20\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 313: Total bytes read: 200\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 314: Histogram 0 2 16 0 2 0 0 0 0 0 0 0 0 0 0 0\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 145: Reset: 980\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 167: Loaded: 981\nDEBUG: /_sps/src/proj/indexing/Index.h : 312: Inputting  \"libraries/gnpslibrary/build_index/981.mxc\"\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 218: temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf:1 @ 981.5\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 291: Ran in 66/799 us and 23 is the size of q (66 us to determine candidates/39 us for cosine) and generated 2 true final_candidate_count (0 tp)/0 candidates in 30/51 list accesses out of 0 total spectra in search space searched in 0 us.\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 312: Total reads: 87\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 313: Total bytes read: 1996\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 314: Histogram 0 11 26 10 38 2 0 0 0 0 0 0 0 0 0 0\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 145: Reset: 981\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 167: Loaded: 982\nDEBUG: /_sps/src/proj/indexing/Index.h : 312: Inputting  \"libraries/gnpslibrary/build_index/982.mxc\"\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 218: temp/queries/9e/9ea87eacc7d1481b911ce6875029977b/9ea87eacc7d1481b911ce6875029977b.mgf:1 @ 981.5\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 291: Ran in 18/739 us and 23 is the size of q (11 us to determine candidates/11 us for cosine) and generated 0 true final_candidate_count (0 tp)/0 candidates in 0/0 list accesses out of 0 total spectra in search space searched in 0 us.\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 312: Total reads: 10\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 313: Total bytes read: 104\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 314: Histogram 0 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0\nDEBUG: /_sps/src/proj/indexing/QueryRunner.h : 360: \n\nQueries run: 3\n\nAverage Time (ms) Per Query: \n\tLoad Index: 0\n\tLoad Spectra: 0\n\tDetermine Buckets: 0\n\tConstruct C: 0.0436667\n\tMethod: 0.792667\n\tFind Candidates: 0.0326667\n\tFinal Cosine: 0.0213333\n\tTotal: 0.890333\n\nTotal Time for Naive Method: 0\n\nAverage Results Per Query: \n\tCandidates From Lists: 1.66667\n\tCandidates After Filtering: 0.666667\n\tValidated Results: 0.666667\n\tSearch Space: 0\n\nTotal reads: 117\nTotal bytes read: 2300\nHistogram: \n0 15 48 12 40 2 0 0 0 0 0 0 0 0 0 0\n\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 241: returnStatus = 1\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 250: Completed Invoke of: [ExecIndex] at: Tue May  6 05:15:55 2025\n\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 259\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 268\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 273\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 275\nDEBUG: /_sps/src/ExecFramework/main_execmodule.cpp : 277\n"}