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_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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