Commit a0bc80e5 authored by Eduardo Miranda's avatar Eduardo Miranda

baseline: run lx1 with project file

parent 02e9a301
......@@ -96,13 +96,13 @@ def make_a_masterscan(mzml_file, options):
#-----------------------TODO refactor linearAlignment
fadi_denominator = count
fadi_percentage = options['MSfilter']
listClusters = linearAlignment(list(dictSpecEntry.keys()),
dictSpecEntry,
options['MSresolution'],
merge = mergeSumIntensity,
mergeTolerance = options['MSresolution'],
mergeDeltaRes = options['MSresolutionDelta'], fadi_denominator= fadi_denominator, fadi_percentage = fadi_percentage)
fadi_percentage = options['MSfilter']
listClusters = linearAlignment(list(dictSpecEntry.keys()),
dictSpecEntry,
options['MSresolution'],
merge = mergeSumIntensity,
mergeTolerance = options['MSresolution'],
mergeDeltaRes = options['MSresolutionDelta'], fadi_denominator= fadi_denominator, fadi_percentage = fadi_percentage)
......
MasterScan: ,
data folder: , C:\Users\mirandaa\Desktop\lx128_p3\lipidxplorer\test_resources\small_test
data folder: , D:\fork\isas_lipidxplorer\test_resources\small_test
import configuration file: , C:\Users\mirandaa\Desktop\lx128_p3\lipidxplorer\test_resources\small_test\lpdxImportSettings_benchmark.ini
import configuration: , 1.0
import configuration: , General_Import_Positive_128
time range: , (33.0, 1080.0)
MS mass range: , (360.0, 1000.0)
......@@ -76942,7 +76942,7 @@ MS/MS frequency filter: 0.6
, >, 632.5198, , 5996.3, 5784.2, 0.0007, 632.52, 632.52, 0.00, 0.00,
, >, 632.5713, , 666.6, 819.3, 0.0130, 632.57, 632.57, 0.00, 0.01,
, >, 632.6131, , 20502.7, 22575.2, 0.0001, 632.61, 632.61, 0.00, 0.00,
, >, 632.6382, , 849.6, 1032.8, 0.0014, 632.64, 632.64, 0.00, 0.00,
, >, 632.6375, , 849.6, 0.0, 0.0000, 632.64, 632.64, 0.00, 0.00,
1, ,632.5251,%, 0.0, 20246.1, 0.0000, 632.5251, 632.5251, 0.0000, 0.0000,
, >, 181.0472, , 1667.2, 2813.8, 0.0001, 181.05, 181.05, 0.00, 0.00,
......@@ -77046,7 +77046,7 @@ MS/MS frequency filter: 0.6
, >, 632.5198, , 5996.3, 5784.2, 0.0007, 632.52, 632.52, 0.00, 0.00,
, >, 632.5713, , 666.6, 819.3, 0.0130, 632.57, 632.57, 0.00, 0.01,
, >, 632.6131, , 20502.7, 22575.2, 0.0001, 632.61, 632.61, 0.00, 0.00,
, >, 632.6382, , 849.6, 1032.8, 0.0014, 632.64, 632.64, 0.00, 0.00,
, >, 632.6375, , 849.6, 0.0, 0.0000, 632.64, 632.64, 0.00, 0.00,
1, ,633.9959,%, 69320.2, 74183.9, 0.0000, 633.9959, 633.9959, 0.0000, 0.0000,
1, ,634.4527,%, 72539.7, 107478.5, 0.0001, 634.4527, 634.4527, 0.0000, 0.0001,
......@@ -101173,7 +101173,6 @@ MS/MS frequency filter: 0.6
, >, 720.5791, , 1976.8, 1932.3, 0.0003, 720.58, 720.58, 0.00, 0.00,
, >, 720.6448, , 13858.3, 13725.1, 0.0004, 720.64, 720.64, 0.00, 0.00,
, >, 720.7374, , 8712.1, 8730.7, 0.0001, 720.74, 720.74, 0.00, 0.00,
, >, 721.0879, , 0.0, 562.2, 0.0000, 721.09, 721.09, 0.00, 0.00,
1, ,722.5050,%, 0.0, 60173.3, 0.0000, 722.5050, 722.5050, 0.0000, 0.0000,
, >, 184.0736, , 77827.1, 72726.5, 0.0000, 184.07, 184.07, 0.00, 0.00,
nb_ms_scans,nb_ms_peaks,nb_msms_scans,nb_msms_peaks,nb_ms_peaks_after_alg,loading_time,calibration_time,alignment_time,total_runtime
62,146225,5120,622588,1844,35.76345779999997,0.07655440000002045,35.46015749999998,73.46672359999997
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