https://github.com/loftytopping/STRAPS
Raw File
Tip revision: 5e139970b7facf519be2ed3e999e3dca2a1cd34d authored by David Topping on 27 June 2017, 13:58:36 UTC
Update README.md
Tip revision: 5e13997
L_STD_W_057_NicotinicAcid.itx
IGOR
WAVES/T	DBInfoDesc_NicotinicA	DBInfo_NicotinicA
BEGIN
	"Source Signal Type"	"laboratory standards (L_STD_*_xxx_yyyy)"
	"Experimentor Name"	"Allison C. Aiken"
	"Research Group"	"Jimenez Group, Colorado-Boulder"
	"ToF Type (C,V,W)"	"W"
	"Citation URL"	"http://pubs.acs.org/doi/pdf/10.1021/ac071150w"
	"Citation"	"Aiken et al., Anal Chem, 2007, Vol.79 pp. 8350-8358, SRef-ID: doi:10.1021/ac071150w"
	"Citation Fig#"	"NA"
	"Comments"	""
	"EI volts"	"70.0"
	"Vaporizer Temp (Deg. C)"	"600.0"
	"local experiment todo wave name"	"NicotinicAcid"
	""	""
	""	""
	""	""
	""	""
END
X SetScale/P x 0,1,"", DBInfoDesc_NicotinicA; SetScale y 0,0,"", DBInfoDesc_NicotinicA
X SetScale/P x 0,1,"", DBInfo_NicotinicA; SetScale y 0,0,"", DBInfo_NicotinicA


WAVES	DiffStick_all_NicotinicA
BEGIN
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0
	1.989659
	0.8705701
	0.4278605
	0.2321429
	0.9437095
	0.4375714
	1.621054
	0.1822058
	0
	0.04144245
	0.04361345
	0.05614007
	0.1835547
	0.7925525
	6.608985
	15.20478
	28.39766
	0.9574407
	0.1741857
	0.1286874
	0.02424124
	0.01299593
	0.02565171
	0.001753246
	0.7448779
	0.8695663
	1.479956
	2.23682
	0
	0.6212534
	0.4315343
	0.5699071
	9.307475
	2.714071
	0.109528
	0.006209844
	0.1655033
	1.645692
	8.190181
	11.79096
	5.522028
	1.901847
	0.1498561
	0.274663
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	0.681766
	0.9904329
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	9.982373
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	0.002056386
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	-0.004840491
	0.003269061
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	-0.001662977
	-5.482822e-05
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	9.221495e-05
	0.002260642
	-0.001163275
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	-0.0003639449
	-0.0003750253
	0.002080993
	-0.001394111
	-0.001162901
	-0.0007695395
	0.002687685
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	-0.0007928772
	0.003127511
	0.001238615
	-0.001156951
	-0.002638933
	-0.0003917654
	0.003550056
	-0.0001678918
	0.0007790306
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	-0.004831363
	0.002800991
	-0.008819429
	0.005390325
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	-0.0004678381
	0.001491474
	-0.001747857
	-0.001299263
	0.00482107
	0.0001283353
	-0.000129769
	-0.006957904
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	-0.001221029
	-0.0007138812
	0.001123077
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	-0.0005126363
	-0.007190358
	-0.004329477
	-0.0004267952
	0.0003188548
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	0.004333648
	0.0003818394
	0.001940122
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	0.002975876
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	0.00125072
	-0.008169872
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	0.004800049
	-0.002631498
	0.002416425
	-0.002682945
	0.0001703863
	0.001996767
	0.002638983
	-0.001533405
	0.0001179127
	-0.003754538
	-0.0002200845
	0.001977505
	0.002012359
	0.003767473
	0.002997017
	-0.0007743435
	-0.0004896041
	-0.003298293
	-0.001907447
	-0.0006233571
	0.000330444
	-0.001432525
	0.0006214466
END
SMILES c1cc(cnc1)C(=O)O
X SetScale/P x 0,1,"", DiffStick_all_NicotinicA; SetScale y 0,0,"", DiffStick_all_NicotinicA
X Display /W=(260,130,660,330) 
X AppendtoGraph DiffStick_all_NicotinicA vs amu_wave_NicotinicA 
X ModifyGraph rgb(DiffStick_all_NicotinicA)=(1,1,1) 
X ModifyGraph mode=1 
X ModifyGraph toMode=3 
X Label bottom "m/z" 
X ModifyGraph lsize=2 
X legend 
X Edit/W=(5.25,42.5,450.75,370.25) DBInfoDesc_NicotinicA,DBInfo_NicotinicA 
X ModifyTable format(Point)=1,width(DBInfoDesc_NicotinicA)=134,width(DBInfo_NicotinicA)=144 
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