--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test_output.tsv	Tue Mar 19 14:49:27 2024 +0000
@@ -0,0 +1,413 @@
+sample	metabolite	derivative	isotopologue	area
+1Bc.raw	2PG_3PG		0	295079
+1Cc.raw	2PG_3PG		0	43339152
+1Bc.raw	2PG_3PG		1	21721
+1Cc.raw	2PG_3PG		1	384440
+1Bc.raw	2PG_3PG		2	0
+1Cc.raw	2PG_3PG		2	20673
+1Bc.raw	2PG_3PG		3	817336
+1Cc.raw	2PG_3PG		3	717032
+1Bc.raw	6PG		0	20488444
+1Cc.raw	6PG		0	174559680
+1Bc.raw	6PG		1	1353794
+1Cc.raw	6PG		1	9204649
+1Bc.raw	6PG		2	2034893
+1Cc.raw	6PG		2	715170
+1Bc.raw	6PG		3	3868554
+1Cc.raw	6PG		3	1536649
+1Bc.raw	6PG		4	1407862
+1Cc.raw	6PG		4	80192
+1Bc.raw	6PG		5	14516783
+1Cc.raw	6PG		5	101574
+1Bc.raw	6PG		6	149455936
+1Cc.raw	6PG		6	3293361
+1Bc.raw	FruBP		0	43524440
+1Cc.raw	FruBP		0	343385984
+1Bc.raw	FruBP		1	5018922
+1Cc.raw	FruBP		1	23490898
+1Bc.raw	FruBP		2	5249852
+1Cc.raw	FruBP		2	7612326
+1Bc.raw	FruBP		3	23203430
+1Cc.raw	FruBP		3	4299920
+1Bc.raw	FruBP		4	5899907
+1Cc.raw	FruBP		4	15122
+1Bc.raw	FruBP		5	30436672
+1Cc.raw	FruBP		5	84067
+1Bc.raw	FruBP		6	331211488
+1Cc.raw	FruBP		6	4920671
+1Bc.raw	F6P		0	7924251
+1Cc.raw	F6P		0	41230904
+1Bc.raw	F6P		1	162158
+1Cc.raw	F6P		1	2986936
+1Bc.raw	F6P		2	59431
+1Cc.raw	F6P		2	243332
+1Bc.raw	F6P		3	2732191
+1Cc.raw	F6P		3	103702
+1Bc.raw	F6P		4	172443
+1Cc.raw	F6P		4	18357
+1Bc.raw	F6P		5	3695150
+1Cc.raw	F6P		5	0
+1Bc.raw	F6P		6	47925972
+1Cc.raw	F6P		6	0
+1Bc.raw	Glc6P		0	5363725
+1Cc.raw	Glc6P		0	109423144
+1Bc.raw	Glc6P		1	50205
+1Cc.raw	Glc6P		1	6682065
+1Bc.raw	Glc6P		2	28468
+1Cc.raw	Glc6P		2	827495
+1Bc.raw	Glc6P		3	728908
+1Cc.raw	Glc6P		3	124630
+1Bc.raw	Glc6P		4	114192
+1Cc.raw	Glc6P		4	0
+1Bc.raw	Glc6P		5	5325325
+1Cc.raw	Glc6P		5	0
+1Bc.raw	Glc6P		6	71047344
+1Cc.raw	Glc6P		6	14839
+1Bc.raw	Glycerol3P		0	27313730
+1Cc.raw	Glycerol3P		0	22702250
+1Bc.raw	Glycerol3P		1	194608
+1Cc.raw	Glycerol3P		1	226523
+1Bc.raw	Glycerol3P		2	0
+1Cc.raw	Glycerol3P		2	0
+1Bc.raw	Glycerol3P		3	2109259
+1Cc.raw	Glycerol3P		3	0
+1Bc.raw	Man6P		0	7415886
+1Cc.raw	Man6P		0	29522790
+1Bc.raw	Man6P		1	164595
+1Cc.raw	Man6P		1	1846092
+1Bc.raw	Man6P		2	189478
+1Cc.raw	Man6P		2	76491
+1Bc.raw	Man6P		3	2058744
+1Cc.raw	Man6P		3	403253
+1Bc.raw	Man6P		4	210092
+1Cc.raw	Man6P		4	12494
+1Bc.raw	Man6P		5	2233690
+1Cc.raw	Man6P		5	0
+1Bc.raw	Man6P		6	25720328
+1Cc.raw	Man6P		6	0
+1Bc.raw	Rib1P		0	1159334
+1Cc.raw	Rib1P		0	9710056
+1Bc.raw	Rib1P		1	45995
+1Cc.raw	Rib1P		1	153362
+1Bc.raw	Rib1P		2	1315014
+1Cc.raw	Rib1P		2	10469
+1Bc.raw	Rib1P		3	176568
+1Cc.raw	Rib1P		3	246750
+1Bc.raw	Rib1P		4	596625
+1Cc.raw	Rib1P		4	0
+1Bc.raw	Rib1P		5	10429096
+1Cc.raw	Rib1P		5	0
+1Bc.raw	RibuBP		0	2230721
+1Cc.raw	RibuBP		0	23132056
+1Bc.raw	RibuBP		1	293094
+1Cc.raw	RibuBP		1	476256
+1Bc.raw	RibuBP		2	3889052
+1Cc.raw	RibuBP		2	22399
+1Bc.raw	RibuBP		3	821719
+1Cc.raw	RibuBP		3	1036051
+1Bc.raw	RibuBP		4	1959176
+1Cc.raw	RibuBP		4	0
+1Bc.raw	RibuBP		5	21985638
+1Cc.raw	RibuBP		5	15252
+1Bc.raw	CitIsocit		0	838341120
+1Cc.raw	CitIsocit		0	468549376
+1Bc.raw	CitIsocit		1	101047488
+1Cc.raw	CitIsocit		1	108765856
+1Bc.raw	CitIsocit		2	92395712
+1Cc.raw	CitIsocit		2	285495552
+1Bc.raw	CitIsocit		3	7150959
+1Cc.raw	CitIsocit		3	109556672
+1Bc.raw	CitIsocit		4	688004
+1Cc.raw	CitIsocit		4	77349936
+1Bc.raw	CitIsocit		5	151768
+1Cc.raw	CitIsocit		5	28082652
+1Bc.raw	CitIsocit		6	17839710
+1Cc.raw	CitIsocit		6	23705252
+1Bc.raw	Malate		0	22269720
+1Cc.raw	Malate		0	391202752
+1Bc.raw	Malate		1	2951479
+1Cc.raw	Malate		1	92022056
+1Bc.raw	Malate		2	151174
+1Cc.raw	Malate		2	119120744
+1Bc.raw	Malate		3	11304
+1Cc.raw	Malate		3	54604696
+1Bc.raw	Malate		4	15523
+1Cc.raw	Malate		4	9230890
+1Bc.raw	Succ		0	45289940
+1Cc.raw	Succ		0	41509728
+1Bc.raw	Succ		1	1848810
+1Cc.raw	Succ		1	2928804
+1Bc.raw	Succ		2	331868
+1Cc.raw	Succ		2	2333543
+1Bc.raw	Succ		3	0
+1Cc.raw	Succ		3	356473
+1Bc.raw	Succ		4	19201
+1Cc.raw	Succ		4	18578
+1Bc.raw	ADP		0	2440984576
+1Cc.raw	ADP		0	2201489152
+1Bc.raw	ADP		1	271398304
+1Cc.raw	ADP		1	237094816
+1Bc.raw	ADP		2	79139232
+1Cc.raw	ADP		2	54469464
+1Bc.raw	ADP		3	21046842
+1Cc.raw	ADP		3	16188251
+1Bc.raw	ADP		4	20803564
+1Cc.raw	ADP		4	1593009
+1Bc.raw	ADP		5	189281952
+1Cc.raw	ADP		5	2258170
+1Bc.raw	ADP		6	12261620
+1Cc.raw	ADP		6	1380628
+1Bc.raw	ADP		7	4199929
+1Cc.raw	ADP		7	1013611
+1Bc.raw	ADP		8	1020241
+1Cc.raw	ADP		8	344656
+1Bc.raw	ADP		9	707909
+1Cc.raw	ADP		9	420721
+1Bc.raw	ADP		10	286802
+1Cc.raw	ADP		10	365821
+1Bc.raw	ATP		0	352560256
+1Cc.raw	ATP		0	2799310848
+1Bc.raw	ATP		1	41379616
+1Cc.raw	ATP		1	331956160
+1Bc.raw	ATP		2	14031760
+1Cc.raw	ATP		2	90597680
+1Bc.raw	ATP		3	2838365
+1Cc.raw	ATP		3	22771812
+1Bc.raw	ATP		4	2316501
+1Cc.raw	ATP		4	2131422
+1Bc.raw	ATP		5	23784890
+1Cc.raw	ATP		5	4392749
+1Bc.raw	ATP		6	1430278
+1Cc.raw	ATP		6	151160
+1Bc.raw	ATP		7	448952
+1Cc.raw	ATP		7	95579
+1Bc.raw	ATP		8	139656
+1Cc.raw	ATP		8	66479
+1Bc.raw	ATP		9	24315
+1Cc.raw	ATP		9	159731
+1Bc.raw	ATP		10	824445
+1Cc.raw	ATP		10	242683
+1Bc.raw	CDP		0	277854432
+1Cc.raw	CDP		0	180155776
+1Bc.raw	CDP		1	25613546
+1Cc.raw	CDP		1	17352972
+1Bc.raw	CDP		2	6720281
+1Cc.raw	CDP		2	4084237
+1Bc.raw	CDP		3	595503
+1Cc.raw	CDP		3	378573
+1Bc.raw	CDP		4	822431
+1Cc.raw	CDP		4	345580
+1Bc.raw	CDP		5	15691563
+1Cc.raw	CDP		5	874316
+1Bc.raw	CDP		6	2569059
+1Cc.raw	CDP		6	1719445
+1Bc.raw	CDP		7	3205500
+1Cc.raw	CDP		7	2595231
+1Bc.raw	CDP		8	2198661
+1Cc.raw	CDP		8	1984864
+1Bc.raw	CDP		9	1912321
+1Cc.raw	CDP		9	981080
+1Bc.raw	CTP		0	97752376
+1Cc.raw	CTP		0	354104640
+1Bc.raw	CTP		1	9014061
+1Cc.raw	CTP		1	37810844
+1Bc.raw	CTP		2	2637210
+1Cc.raw	CTP		2	12270652
+1Bc.raw	CTP		3	493995
+1Cc.raw	CTP		3	1147615
+1Bc.raw	CTP		4	225668
+1Cc.raw	CTP		4	374674
+1Bc.raw	CTP		5	3881030
+1Cc.raw	CTP		5	530041
+1Bc.raw	CTP		6	321278
+1Cc.raw	CTP		6	445751
+1Bc.raw	CTP		7	567000
+1Cc.raw	CTP		7	497650
+1Bc.raw	CTP		8	436078
+1Cc.raw	CTP		8	503947
+1Bc.raw	CTP		9	379632
+1Cc.raw	CTP		9	171234
+1Bc.raw	Cytidine		0	110500024
+1Cc.raw	Cytidine		0	94952984
+1Bc.raw	Cytidine		1	6917021
+1Cc.raw	Cytidine		1	6293648
+1Bc.raw	Cytidine		2	253535
+1Cc.raw	Cytidine		2	219137
+1Bc.raw	Cytidine		3	91008
+1Cc.raw	Cytidine		3	0
+1Bc.raw	Cytidine		4	0
+1Cc.raw	Cytidine		4	0
+1Bc.raw	Cytidine		5	3953760
+1Cc.raw	Cytidine		5	1140258
+1Bc.raw	Cytidine		6	0
+1Cc.raw	Cytidine		6	0
+1Bc.raw	Cytidine		7	0
+1Cc.raw	Cytidine		7	0
+1Bc.raw	Cytidine		8	0
+1Cc.raw	Cytidine		8	0
+1Bc.raw	Cytidine		9	0
+1Cc.raw	Cytidine		9	0
+1Bc.raw	GDP		0	183419200
+1Cc.raw	GDP		0	5829401
+1Bc.raw	GDP		1	20590900
+1Cc.raw	GDP		1	422107
+1Bc.raw	GDP		2	7804884
+1Cc.raw	GDP		2	92678
+1Bc.raw	GDP		3	1823927
+1Cc.raw	GDP		3	236742
+1Bc.raw	GDP		4	2016415
+1Cc.raw	GDP		4	13772
+1Bc.raw	GDP		5	19619284
+1Cc.raw	GDP		5	31978
+1Bc.raw	GDP		6	1194784
+1Cc.raw	GDP		6	26256
+1Bc.raw	GDP		7	201536
+1Cc.raw	GDP		7	36826
+1Bc.raw	GDP		8	309616
+1Cc.raw	GDP		8	43431
+1Bc.raw	GDP		9	268794
+1Cc.raw	GDP		9	0
+1Bc.raw	GDP		10	77674
+1Cc.raw	GDP		10	33280
+1Bc.raw	GMP		0	131522216
+1Cc.raw	GMP		0	397354
+1Bc.raw	GMP		1	13938626
+1Cc.raw	GMP		1	213919
+1Bc.raw	GMP		2	3637522
+1Cc.raw	GMP		2	0
+1Bc.raw	GMP		3	606319
+1Cc.raw	GMP		3	0
+1Bc.raw	GMP		4	963454
+1Cc.raw	GMP		4	0
+1Bc.raw	GMP		5	13534815
+1Cc.raw	GMP		5	0
+1Bc.raw	GMP		6	134354
+1Cc.raw	GMP		6	0
+1Bc.raw	GMP		7	0
+1Cc.raw	GMP		7	0
+1Bc.raw	GMP		8	0
+1Cc.raw	GMP		8	0
+1Bc.raw	GMP		9	0
+1Cc.raw	GMP		9	0
+1Bc.raw	GMP		10	0
+1Cc.raw	GMP		10	0
+1Bc.raw	GTP		0	1377586
+1Cc.raw	GTP		0	685898
+1Bc.raw	GTP		1	169988
+1Cc.raw	GTP		1	60237
+1Bc.raw	GTP		2	338539
+1Cc.raw	GTP		2	89532
+1Bc.raw	GTP		3	15879
+1Cc.raw	GTP		3	39374
+1Bc.raw	GTP		4	10927
+1Cc.raw	GTP		4	0
+1Bc.raw	GTP		5	130142
+1Cc.raw	GTP		5	25645
+1Bc.raw	GTP		6	124400
+1Cc.raw	GTP		6	16310
+1Bc.raw	GTP		7	115268
+1Cc.raw	GTP		7	4394
+1Bc.raw	GTP		8	99669
+1Cc.raw	GTP		8	14385
+1Bc.raw	GTP		9	102146
+1Cc.raw	GTP		9	44732
+1Bc.raw	GTP		10	61715
+1Cc.raw	GTP		10	31661
+1Bc.raw	IMP		0	21731700
+1Cc.raw	IMP		0	29553942
+1Bc.raw	IMP		1	2046580
+1Cc.raw	IMP		1	2483813
+1Bc.raw	IMP		2	1102702
+1Cc.raw	IMP		2	59175
+1Bc.raw	IMP		3	750858
+1Cc.raw	IMP		3	127272
+1Bc.raw	IMP		4	798244
+1Cc.raw	IMP		4	0
+1Bc.raw	IMP		5	10917623
+1Cc.raw	IMP		5	0
+1Bc.raw	IMP		6	134071
+1Cc.raw	IMP		6	0
+1Bc.raw	IMP		7	102530
+1Cc.raw	IMP		7	46581
+1Bc.raw	IMP		8	0
+1Cc.raw	IMP		8	0
+1Bc.raw	IMP		9	0
+1Cc.raw	IMP		9	0
+1Bc.raw	IMP		10	0
+1Cc.raw	IMP		10	0
+1Bc.raw	UDP		0	414451744
+1Cc.raw	UDP		0	701342400
+1Bc.raw	UDP		1	47638556
+1Cc.raw	UDP		1	115244616
+1Bc.raw	UDP		2	47647284
+1Cc.raw	UDP		2	59672152
+1Bc.raw	UDP		3	23283766
+1Cc.raw	UDP		3	28410322
+1Bc.raw	UDP		4	31764274
+1Cc.raw	UDP		4	5940255
+1Bc.raw	UDP		5	312608064
+1Cc.raw	UDP		5	8335464
+1Bc.raw	UDP		6	25615516
+1Cc.raw	UDP		6	716107
+1Bc.raw	UDP		7	12679936
+1Cc.raw	UDP		7	53200
+1Bc.raw	UDP		8	962342
+1Cc.raw	UDP		8	13484
+1Bc.raw	UDP		9	134556
+1Cc.raw	UDP		9	66458
+1Bc.raw	UDPAcGlcN		0	147400880
+1Cc.raw	UDPAcGlcN		0	497737888
+1Bc.raw	UDPAcGlcN		1	34547192
+1Cc.raw	UDPAcGlcN		1	124516552
+1Bc.raw	UDPAcGlcN		2	23484704
+1Cc.raw	UDPAcGlcN		2	209956608
+1Bc.raw	UDPAcGlcN		3	25758670
+1Cc.raw	UDPAcGlcN		3	65518868
+1Bc.raw	UDPAcGlcN		4	20443204
+1Cc.raw	UDPAcGlcN		4	24415836
+1Bc.raw	UDPAcGlcN		5	108661952
+1Cc.raw	UDPAcGlcN		5	15392614
+1Bc.raw	UDPAcGlcN		6	230854064
+1Cc.raw	UDPAcGlcN		6	6333184
+1Bc.raw	UDPAcGlcN		7	45257816
+1Cc.raw	UDPAcGlcN		7	4478011
+1Bc.raw	UDPAcGlcN		8	47845764
+1Cc.raw	UDPAcGlcN		8	4448550
+1Bc.raw	UDPAcGlcN		9	20391152
+1Cc.raw	UDPAcGlcN		9	3971238
+1Bc.raw	UDPAcGlcN		10	30479670
+1Cc.raw	UDPAcGlcN		10	3172275
+1Bc.raw	UDPAcGlcN		11	141836016
+1Cc.raw	UDPAcGlcN		11	4611530
+1Bc.raw	UDPAcGlcN		12	19285690
+1Cc.raw	UDPAcGlcN		12	3801463
+1Bc.raw	UDPAcGlcN		13	18404962
+1Cc.raw	UDPAcGlcN		13	4689228
+1Bc.raw	UDPAcGlcN		14	4729885
+1Cc.raw	UDPAcGlcN		14	3879133
+1Bc.raw	UDPAcGlcN		15	4016577
+1Cc.raw	UDPAcGlcN		15	5293326
+1Bc.raw	UDPAcGlcN		16	3331716
+1Cc.raw	UDPAcGlcN		16	3679576
+1Bc.raw	UDPAcGlcN		17	4362360
+1Cc.raw	UDPAcGlcN		17	4082185
+1Bc.raw	UMP		0	492295488
+1Cc.raw	UMP		0	678773184
+1Bc.raw	UMP		1	54854400
+1Cc.raw	UMP		1	106707688
+1Bc.raw	UMP		2	48958356
+1Cc.raw	UMP		2	48354456
+1Bc.raw	UMP		3	24356038
+1Cc.raw	UMP		3	24149268
+1Bc.raw	UMP		4	34483400
+1Cc.raw	UMP		4	4240274
+1Bc.raw	UMP		5	354854400
+1Cc.raw	UMP		5	2430849
+1Bc.raw	UMP		6	27630432
+1Cc.raw	UMP		6	60106
+1Bc.raw	UMP		7	10287202
+1Cc.raw	UMP		7	0
+1Bc.raw	UMP		8	256329
+1Cc.raw	UMP		8	0
+1Bc.raw	UMP		9	0
+1Cc.raw	UMP		9	0