view test-data/recallist/recal_series.tabular @ 2:12b63108d645 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit c6e502d8af84750003e4ba001c61817acedd1896

"Series"	"Number.Observed"	"Series.Index"	"Mass.Range"	"Tall.Peak"	"Abundance.Score"	"Peak.Score"	"Peak.Distance"	"Series.Score"
"_H_4"	8	54	"121.101-177.164"	121.101133005817	-40.744548219864	0.513008460106113	2.0022239614575	0.6255625
"_H_5"	7	60	"119.085-203.179"	119.085478343665	0	0.00189700255432302	2.002230609633	1.00095918367347
"_H_6"	9	49	"117.07-173.133"	145.101380561463	-56.0021549559649	0.13569292865165	2.00220483719043	0.556055555555556
"O_H_3"	12	37	"125.096-265.253"	153.127570993099	-31.622351105407	0.0015695541785917	4.0916000492481e-08	0.91760119047619
"O_H_4"	24	18	"123.08-235.205"	151.111735640747	-28.2884966922516	0.623476031387814	1.00110604074271	0.375372023809524
"O_H_5"	18	27	"121.064-233.19"	149.096105311228	21.4305154780686	0.352916430267584	2.00223805817479	0.5005
"O_H_6"	17	28	"119.049-273.221"	175.111612481644	-9.97452232152313	0.0274294484213061	1.00111137429357	0.706605042016807
"O_H_7"	12	39	"131.049-299.236"	131.049175570564	172.333212266955	0.840925082711506	1.00111591861886	1.08444642857143
"O2_H_6"	26	15	"121.028-275.2"	135.044203360548	132.070890535917	0.00790053195276584	1.00111745248393	0.462010989010989
"O2_H_7"	14	32	"147.044-287.2"	189.091144991185	8.83386407948655	0.147303531551518	2.00219708641086	0.786510204081633
"O2_H_3"	23	19	"113.06-253.216"	169.122270213149	4.76056043166079	0.0701292750649239	8.28695842106494e-12	0.478745341614907
"O2_H_4"	33	6	"111.044-279.231"	167.106692449667	82.4236049322032	0.286865201338275	4.00445257623936	0.394344155844156
"O3_H_2"	19	24	"117.055-299.257"	145.085900628212	6.27902654417553	0.802218975083	3.00336379805057	0.737601503759398
"O3_H_3"	31	8	"115.039-297.242"	185.117196150203	47.4227725825158	0.778828196734631	1.00111893363993	0.45208064516129
"O3_H_7"	33	7	"149.023-415.32"	177.05459583337	-10.9317163240029	0.195437412108535	4.0044736834895	0.606703463203463
"O4_H_1"	8	53	"177.112-359.316"	177.112147092172	-26.2941074418532	0.151915356730647	2.00222462284679	1.75182142857143
"O2_H_2"	27	13	"115.075-283.262"	171.137877553161	-69.1344724131683	0.207568470854973	1.00110628326907	0.481976190476191
"O3_H_12"	14	34	"251.07-279.102"	279.101165261479	65.2340182235317	0.149300279614808	0	0.214448979591837
"O2_H_8"	5	74	"187.076-355.262"	229.122456513599	-51.6968737595267	0.273206935258389	5.00556212952736	2.60265714285714
"O3_H_5"	36	4	"125.023-419.351"	237.148279500834	43.9267963624442	0.0746045081170269	4.00447726198	0.611761904761905
"O2_H_11"	5	78	"209.06-391.263"	223.074691790747	132.732152227999	0.540579659159889	1.00107229090536	2.8029
"O_H_8"	5	73	"171.081-269.19"	269.190034324818	-84.1542998489119	0.062211091207672	4.23693827867412e-05	1.60155714285714
"O3_H_4"	36	3	"127.039-323.257"	239.16391307677	37.1217086846939	0.117558310016219	4.00445515003443	0.417099206349206
"O4_H_3"	30	10	"145.049-341.268"	229.143400253236	23.742221018427	0.0948022540425468	2.00221116860679	0.500521428571428
"O2_H_5"	37	2	"123.044-431.389"	221.153498294039	30.1182563966444	0.265731820127386	2.00224719208636	0.622287644787645
"O4_H_5"	30	11	"141.018-337.236"	253.143063541297	45.0295848929684	0.329810765327225	2.00223138994564	0.500519047619048
"O4_H_2"	21	21	"161.081-371.315"	203.127702568166	14.8126016290571	0.216169485485103	1.00111575924557	0.762700680272109
"O4_H_7"	25	17	"193.049-431.317"	277.143094912085	-39.7124352799229	0.0207206865928199	6.00667325540743	0.720765714285714
"O4_H_4"	34	5	"143.034-339.252"	227.127382267807	51.3580490610349	0.116192915928226	2.00222457351421	0.441634453781513
"O3_H_6"	27	14	"151.039-319.227"	221.116873599366	8.32628083030641	0.0284160198840399	5.00556424587978	0.481978835978836
"O5_H_6"	28	12	"211.06-407.278"	267.122418171045	-8.32628083030643	0.079441195728107	3.82635832149195e-05	0.536270408163265
"O5_H_3"	22	20	"189.076-357.264"	245.138110912711	20.2587245791274	0.00524719019601846	2.00224152631921	0.591519480519481
"O5_H_8"	14	33	"221.044-361.2"	249.075478055657	-52.2755612668809	0.0312113383863095	7.00778143987421	0.786510204081633
"O4_H_10"	5	77	"229.049-327.159"	299.127418810834	-66.343276651767	0.448794298026244	5.005572359656	1.60157142857143
"O5_H_1"	6	64	"207.123-263.185"	249.169399166473	-68.7758170029675	0.231338729878438	3.00334324467536	0.834071428571429
"O5_H_7"	19	26	"209.044-405.263"	293.138129661566	-62.1139158480097	0.339103327929671	4.0044895110515	0.790296992481203
"O8_H_2"	4	80	"239.077-365.218"	239.0765825642	-76.5432994494589	0.21374226060379	5.00560801167571	2.50251785714286
"O6_H_1"	6	65	"223.118-293.197"	265.164165806035	-26.0443019937859	0.554703568827037	2.00232612936514	1.00094047619048
"O5_H_5"	31	9	"199.06-353.231"	227.091557943633	33.123906036581	0.104461891095423	3.00330918709964	0.387490783410138
"O5_H_2"	16	29	"219.122-359.278"	247.153417281641	-48.9074890350887	0.120168373038622	3.72785043570697e-05	0.688196428571429
"O5_H_4"	25	16	"159.029-355.247"	299.185048812065	20.2884808281639	0.145312047916216	2.00222987389164	0.600622857142857
"O7_H_2"	9	45	"195.05-349.221"	265.128242926885	-61.597225928828	0.180677725508874	6.00663774961929	1.33469047619048
"O9_H_2"	5	70	"241.056-381.212"	269.086936878584	-39.0519817092756	0.341957510942861	8.00892782762214	2.20222857142857
"O10_H_9"	6	67	"369.081-453.176"	369.080570529955	-48.6903435474702	0.10098321914748	2.00229830124614	1.16779761904762
"O3_H_8"	7	61	"189.055-315.195"	315.195056096973	15.3981964259707	0.218850442793398	4.00443177147314	1.43
"O4_H_8"	9	52	"205.05-387.252"	387.252481711364	-56.3837151335971	0.0436136413448345	12.0133884154185	1.55715873015873
"O6_H_3"	20	23	"177.039-373.258"	345.226539852126	11.3393140788504	0.260614281337932	2.00221165341957	0.750782142857143
"O8_H_13"	6	68	"343.045-427.138"	357.060661628738	51.6000460470045	0.16259969783224	4.00439854372114	1.16777380952381
"O10_H_2"	4	79	"285.082-425.238"	355.160039122111	-62.6454758053799	0.150072989997034	5.00556513080393	2.75278571428571
"O7_H_6"	8	55	"299.113-495.33"	313.128264107885	2.22863472776223	0.124302182854094	13.0144285819602	1.8769375
"O6_H_2"	12	36	"249.134-375.274"	347.242588877017	-31.515656260483	0.0710777260539349	6.00671922576264	0.834166666666667
"O8_H_1"	5	69	"213.061-311.169"	311.16936123622	27.8251864824375	0.198145538844287	1.00111011193714	1.60154285714286
"O6_H_7"	9	50	"253.071-407.242"	351.1796217	11.6976374801684	0.213201464774084	2.00233308426821	1.33469047619048
"O6_H_4"	21	22	"245.102-413.289"	343.210931027628	48.7797586027353	0.121518345258972	2.00223904643693	0.619683673469388
"O7_H_7"	5	72	"297.097-451.27"	367.175497511433	-24.968314454426	0.0590075942636926	3.00340430136414	2.40247142857143
"O6_H_6"	16	30	"241.07-381.227"	311.148738276314	28.8219252051272	0.252886832628825	2.002256704257	0.688200892857143
"O4_H_11"	7	63	"311.127-367.19"	325.142794730784	678.501101324198	0.16842897219323	5.57584468603116e-05	0.714928571428571
"O6_H_8"	8	58	"293.102-433.259"	321.133270127935	-31.8793775150894	0.0346098744441628	8.00895186897564	1.37640178571429
"O6_H_5"	19	25	"243.086-425.289"	313.165444630826	39.0618868447997	0.126458583531792	4.00433919779814	0.737605263157895
"O7_H_3"	9	46	"193.034-389.253"	333.190374703384	-41.3251708285862	0.107741039499114	4.00439445263429	1.66840476190476
"O8_H_4"	13	35	"305.124-445.28"	347.169662029247	166.713963385144	0.814025833051634	3.00332210936914	0.847010989010989
"O7_H_5"	12	38	"273.097-427.268"	329.158937066272	-2.22863472776223	0.15947640466632	4.34917158794893e-08	1.00101785714286
"O9_H_4"	9	48	"349.149-447.258"	363.164041941685	-9.44164093073756	0.43055033575674	1.00104776138443	0.889753968253968
"O9_H_5"	11	43	"291.071-445.244"	389.180110794612	80.5596268067837	0.0927891530123678	6.006715492948	1.09203246753247
"O9_H_9"	7	62	"339.071-479.226"	367.101864488525	-18.5226214411156	0.0271291741355916	2.00223672353814	1.57301020408163
"O8_H_5"	11	42	"331.138-429.247"	387.200331561661	24.9699398397972	0.686337154705757	4.00442631676493	0.72798051948052
"O8_H_3"	4	81	"223.045-363.202"	363.201194044798	-33.8039575557239	0.0980859141223997	6.624520485892e-05	2.75280357142857
"O7_H_4"	11	40	"233.066-415.268"	359.206083268496	-11.5251682369853	0.136136287521764	1.00112104522922	1.27403896103896
"O8_H_7"	8	56	"313.091-495.295"	327.106681872755	-46.9363771060916	0.176094902356589	12.0134341270457	1.75182142857143
"O10_H_8"	8	57	"357.081-497.238"	497.238160145162	59.2705647399778	0.623098899641715	4.00454302359757	1.37640178571429
"O10_H_6"	6	66	"319.065-487.254"	431.190612941439	-34.0254140710475	0.137560981917351	1.00109561738814	2.16891666666667
"O8_H_6"	14	31	"343.138-483.296"	413.215785206654	-23.4991175933365	0.0491534377465991	2.00220655055393	0.786520408163265
"O10_H_5"	11	41	"307.066-489.268"	447.222095357102	37.0072864154341	0.0767372225093416	5.00552269260135	1.27403896103896
"O4_H_6"	38	1	"181.05-419.315"	419.31504119354	167.793499583949	0.081663692111767	10.0111644740629	0.474182330827068
"O9_H_3"	5	71	"337.148-407.227"	407.22659111443	-2.69973187103022	0.154668199534351	5.00558384623686	1.20112857142857
"O10_H_3"	7	59	"381.175-465.268"	409.206584131861	2.6997318710302	0.0702879797813004	2.00225558483757	1.00094897959184
"O8_H_8"	5	75	"325.091-493.279"	409.186591363892	-3.52745644167617	0.282731672009641	4.00447886081779	2.60268571428571
"O9_H_6"	10	44	"303.07-499.289"	415.195395703443	-21.7793592335313	0.166622042493807	3.00330370738879	1.50156428571429
"O9_H_7"	9	51	"329.086-497.274"	469.243345845043	-12.5358423709044	0.297185663031711	4.00454498002479	1.44593650793651
"O9_H_8"	5	76	"355.103-481.243"	425.179504475429	5.47210675676836	0.0313350772541183	4.00452126604079	2.002
"O10_H_4"	9	47	"309.081-491.284"	435.222060757962	4.7511651696338	0.655346847143645	2.00227542877	1.55716666666667