https://github.com/loftytopping/STRAPS
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Tip revision: 4e670fd2b94213d3e32dc41f614ede17348eeffe authored by David Topping on 20 December 2016, 17:19:26 UTC
Update README.md
Tip revision: 4e670fd
L_STD_W_031_Docosanol.itx
IGOR
WAVES/T	DBInfoDesc_Docosanol	DBInfo_Docosanol
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"	"Docosanol"
	""	""
	""	""
	""	""
	""	""
END
X SetScale/P x 0,1,"", DBInfoDesc_Docosanol; SetScale y 0,0,"", DBInfoDesc_Docosanol
X SetScale/P x 0,1,"", DBInfo_Docosanol; SetScale y 0,0,"", DBInfo_Docosanol

WAVES	DiffStick_all_Docosanol
BEGIN
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0.03852553
	0.002123017
	0.22306
	0.1212186
	0.02559099
	0.2392129
	1.014115
	0.007884043
	-0.002287389
	0.05420069
	0.02713783
	-0.01820311
	0.05051476
	0.05117622
	0.3471807
	0.6971118
	1.741765
	1.106932
	0.05931221
	0.1789137
	-0.00920715
	0.01765182
	-0.006235827
	-0.01163761
	0.01906521
	0.006012717
	0.03288399
	0.7472586
	0
	3.383102
	1.513391
	11.16842
	0.742161
	0.4395235
	0.03478508
	-0.01602346
	-0.02204344
	0.01289357
	0.02575044
	0.1047049
	0.1194063
	0.2619325
	1.590805
	10.10207
	6.323995
	14.83827
	0.662106
	0.01147407
	0.0143788
	0.1279802
	0.004820718
	-0.006057987
	0.01372029
	0.1306255
	0.3085657
	3.152872
	3.65408
	10.49888
	5.588068
	7.052552
	0.379563
	0.1608642
	0.02080189
	-0.01101749
	0.03451691
	0.231753
	0.3574437
	0.7598436
	0.3907341
	2.375306
	3.580894
	9.638801
	2.994507
	3.562863
	0.2211666
	0.03328147
	0.005687387
	0.01980926
	0.007923083
	0.5934463
	0.3674558
	0.2985328
	0.1626056
	1.367293
	1.664989
	6.76204
	1.528933
	0.5958862
	0.04801188
	0.00966868
	0.007053058
	0.04503154
	0.132187
	0.2400792
	0.09904535
	0.1028618
	0.06965334
	0.5475196
	0.5449953
	2.554162
	0.7646704
	0.2632448
	0.02348301
	0.1098428
	0.04875435
	0.1480922
	0.07224507
	0.06722548
	0.02892984
	0.07954241
	0.04235682
	0.2081974
	0.2718367
	0.9083836
	0.3730944
	0.1357269
	0.08182953
	0.07499182
	0.03863569
	0.05828834
	0.01754033
	0.0441295
	0.0179712
	0.0397055
	0.01754369
	0.09090204
	0.1336107
	0.2795894
	0.1972928
	0.1072762
	0.02858124
	0.02308766
	0.01345879
	0.02606106
	0.01340704
	0.01395565
	0.008037991
	0.0179148
	0.00798446
	0.04509737
	0.0834441
	0.1383422
	0.122312
	0.05345824
	0.0158174
	0.007349964
	-0.002795311
	0.008271393
	0.009635417
	0.003864266
	0.0007991609
	0.009016935
	-0.00474588
	0.03651977
	0.05274327
	0.08140995
	0.07156667
	0.0296311
	0.01019659
	-0.00370047
	0.00312635
	-0.00597528
	-3.949355e-05
	-0.007893462
	0.02028005
	-0.003803104
	0.00847024
	0.01577278
	0.02095952
	0.02236864
	0.2182076
	-0.04806243
	-0.05593672
	0.01065539
	-0.0106412
	0.02115884
	-0.0207977
	0.01553317
	0.01084389
	-0.002822812
	0.04354781
	0.02266259
	-0.002326653
	0.0171152
	0.03223701
	0.0226943
	-0.0002689489
	-0.003702556
	-0.01499642
	0.003898509
	0.006368824
	0.00545519
	0.003920588
	-0.0005774412
	0.01343285
	0.009037863
	0.0228056
	0.01446959
	0.01844552
	0.003804326
	0.004305651
	0.006468632
	0.006327576
	0.002832019
	0.0003345332
	-0.003020432
	-0.001540504
	0.0008817447
	0.0004425725
	0.003739358
	0.00953568
	0.006124984
	0.02151429
	-0.001397355
	0.0005003456
	-0.002240026
	0.006064571
	0.003526219
	-0.0022034
	0.00343959
	0.008178013
	-0.001402359
	0.003100076
	0.001024242
	0.005857852
	0.008863514
	0.006703283
	0.003109762
	-0.0002063282
	-0.0007309275
	-0.008321577
	0.0003916914
	0.003131788
	0.001600516
	0.001565412
	0.0009414961
	-0.004773358
	0.003856414
	0.007622501
	0.007318575
	0.007214205
	-0.004962595
	-0.00015805
	-0.004421525
	-0.001750125
	0.004045319
	0.003929654
	0.003246077
	0.004592332
	-0.002643781
	0.001598085
	0.002977922
	0.004964571
	-0.0003563954
	0.002673952
	0.002726846
	0.002432904
	-0.004348736
	0.001398853
	0.001826042
	-0.001177695
	0.0002417718
	0.0008004643
	-0.0005282353
	-0.0001803945
	0.001821685
	0.007410104
	0.002444493
	0.01341132
	0.005843441
	-0.003826879
	0.001446618
	-0.0002251534
	0.004270993
	-0.0007890246
	-0.004094493
	-0.002514079
	0.002851493
	0.001618155
	-0.0001207294
	0.002434505
	-0.0002630769
	-0.003729416
	0.0003696827
	-0.001451
	0.004707466
	0.004221117
	-0.0001639617
END
SMILES CCCCCCCCCCCCCCCCCCCCCCO
X SetScale/P x 0,1,"", DiffStick_all_Docosanol; SetScale y 0,0,"", DiffStick_all_Docosanol
X Display /W=(260,130,660,330) 
X AppendtoGraph DiffStick_all_Docosanol vs amu_wave_Docosanol 
X ModifyGraph rgb(DiffStick_all_Docosanol)=(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_Docosanol,DBInfo_Docosanol 
X ModifyTable format(Point)=1,width(DBInfoDesc_Docosanol)=134,width(DBInfo_Docosanol)=144 
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