view test-data/output01.txt @ 0:e3d43b8c987b draft

Init repository with last tool-bank-golm-lib_search master version
author fgiacomoni
date Mon, 05 Dec 2016 08:32:04 -0500
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children 11779b6402bc
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Num Spectre	Analyte Name	Spectrum Name	Retention Index	RI Discrepancy	DotproductDistance	EuclideanDistance	JaccardDistance	HammingDistance	s12GowerLegendreDistance	Spectrum ID	Metabolite ID	Analyte ID
1	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.4861827	0.0871585	0.8515625	109	0.784043431	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
1	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.4875465	0.0869417042	0.852713168	110	0.784997046	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
1	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.4901554	0.0861777	0.8560606	113	0.7877858	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
1	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.4914575	0.09410148	0.8558559	95	0.804233432	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
1	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.497226775	0.0910335854	0.85	102	0.788321555	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
2		no results										
3	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.487051964	0.0868976042	0.8604651	111	0.79687	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
3	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.4883618	0.08667906	0.86153847	112	0.797758937	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
3	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.491137743	0.0859391	0.864661634	115	0.8003591	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
3	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.4918884	0.09372151	0.8660714	97	0.817842841	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
3	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.49828127	0.0907527059	0.8595041	104	0.8015494	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
4		no results