https://github.com/loftytopping/STRAPS
Tip revision: 5e139970b7facf519be2ed3e999e3dca2a1cd34d authored by David Topping on 27 June 2017, 13:58:36 UTC
Update README.md
Update README.md
Tip revision: 5e13997
L_STD_W_037_HexadecanoicAcid.itx
IGOR
WAVES/T DBInfoDesc_Hexadecano DBInfo_Hexadecano
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" "HexadecanoicAcid"
"" ""
"" ""
"" ""
"" ""
END
X SetScale/P x 0,1,"", DBInfoDesc_Hexadecano; SetScale y 0,0,"", DBInfoDesc_Hexadecano
X SetScale/P x 0,1,"", DBInfo_Hexadecano; SetScale y 0,0,"", DBInfo_Hexadecano
WAVES DiffStick_all_Hexadecano
BEGIN
0
0
0
0
0
0
0
0
0
0
0
0.1292643
0.04567679
0.3246445
0.4179772
0.08131454
0.2479727
1.422539
-0.002492019
0.03049987
0.03160053
-0.01694193
0.1019713
0.02142119
0.0841752
0.6482754
2.797992
3.927408
5.060677
0.1392928
0.1149039
0.0393408
-0.005950153
0.01217968
0.01424571
0.1068142
0.05642956
0.1723435
2.29096
0
12.09878
3.23322
18.88922
1.806878
0.8411825
0.01726054
0.03695405
-0.01054281
-0.009275724
0.09712964
0.2051091
0.1181248
0.8622365
1.962282
15.94786
4.283599
10.82389
0.5547905
0.4910725
8.406343
1.78263
0.06611141
0.0408264
0.01611947
0.2913929
0.2525681
2.91649
1.787543
7.091157
3.18997
3.968039
0.2494056
9.427773
0.677831
0.07232913
0.003684286
0.3853376
0.2282903
1.08229
0.463235
1.88933
1.241192
5.162781
2.503139
1.910472
0.1490843
1.28887
0.1289702
0.05248974
0.006305468
0.5292307
0.1706942
0.5245228
0.2325313
0.9347061
0.6612056
2.986727
3.227903
0.5109712
0.05941072
0.4326504
0.1195447
0.06692246
0.07756221
0.1852237
0.04876975
0.2132055
0.09352943
0.335115
0.2290389
0.9976869
0.518241
0.1624273
0.03228958
0.6090189
0.1434934
0.1161538
0.03732738
0.06184727
0.0141418
0.1420081
0.04474604
0.1237536
0.1172874
0.2386491
0.08819082
0.1026883
0.08456352
1.00139
0.1159226
0.04205715
0.002774664
0.04327488
0.01992835
0.0968292
0.02765454
0.0534688
0.0587234
0.07351593
0.03661998
0.07627209
0.02645079
0.1337194
0.03447049
0.0149383
0.005681545
0.01896249
0.006439407
0.04877781
0.01117889
0.03320528
0.05039868
0.04422655
0.03470953
0.03340762
0.007496524
0.2050218
0.02827902
0.008535488
0.01077404
0.008684134
0.004757851
0.01937867
-0.001541236
0.03488444
0.03761362
0.02980766
0.01825354
0.01887327
0.006879326
0.1928673
0.02918173
0.0107701
0.0005012864
0.002899069
0.007475419
0.01495446
0.02909273
0.01203897
0.01064925
0.01545711
0.007447674
-0.01315292
0.009393027
0.1787464
0.01407035
0.00866203
0.0004108878
0.0171638
0.005406118
0.01414778
0.0174798
0.00461206
0.03382614
0.009092975
0.01636675
0.00733288
-0.005609457
0.07296876
0.01603294
0.004514953
0.01342284
0.005994064
0.006175137
0.004260015
0.001462722
0.008908661
0.006941601
0.005720365
0.0020345
0.003913396
-0.001011137
0.2655021
0.04338869
0.00895185
0.002332401
0.001612591
0.002675101
0.0004783483
0.003116997
-0.002193762
-0.00131315
0.003336688
0.0001612275
0.00488436
0.0003008022
0.06772826
0.01442877
-0.001716665
2.968072e-05
0.00255851
0.005502402
0.002489671
0.005401437
0.003772202
-0.00200364
0.003044154
0.002202025
0.005307986
-0.0006107595
0.01635265
0.005402179
0.001483059
0.00335893
-0.0006464882
0.003158384
0.00101199
0.001844485
0.002031887
-0.003006944
0.001311777
-0.002235175
0.002041084
-0.0006205736
0.001397827
0.1182927
0.02043017
0.004016181
-0.0002360942
-0.001399196
-0.002015642
0.0005650495
0.002533815
0.00153976
0.003654846
-0.002101245
0.00202832
0.003295334
-0.002107031
0.00161522
-0.0002538446
0.002427902
-0.003799013
0.003436657
0.002494743
-0.001803186
-0.00110657
0.002803789
-0.001640726
-0.0006852534
0.002104829
0.007604259
-0.002358641
0.006792329
0.002614136
0.001686791
-0.003258893
0.001278477
0.003123794
0.001855107
0.0006992449
0.001031356
-0.0008026704
-0.0005772525
0.003455908
0.0008352634
-0.002279493
0.001091394
-0.0004180878
END
SMILES CCCCCCCCCCCCCCCC(=O)O
X SetScale/P x 0,1,"", DiffStick_all_Hexadecano; SetScale y 0,0,"", DiffStick_all_Hexadecano
X Display /W=(260,130,660,330)
X AppendtoGraph DiffStick_all_Hexadecano vs amu_wave_Hexadecano
X ModifyGraph rgb(DiffStick_all_Hexadecano)=(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_Hexadecano,DBInfo_Hexadecano
X ModifyTable format(Point)=1,width(DBInfoDesc_Hexadecano)=134,width(DBInfo_Hexadecano)=144