(C14H22S)n, J. Tomkinson, ISIS
C (CM-1)  COUNTS ERROR
-20.1034	0	0
-19.9824	0	0
-19.8614	0	0
-19.7404	0	0
-19.6194	0	0
-19.4985	0	0
-19.3775	0	0
-19.2565	0	0
-19.1355	0	0
-19.0145	0	0
-18.8935	0	0
-18.7726	0	0
-18.6516	0	0
-18.5306	0	0
-18.4096	0	0
-18.2886	0	0
-18.1676	0	0
-18.0467	0	0
-17.9257	0	0
-17.8047	0	0
-17.6837	0	0
-17.5627	0	0
-17.4417	0	0
-17.3208	0	0
-17.1998	0	0
-17.0788	0	0
-16.9578	0	0
-16.8368	0	0
-16.7158	0	0
-16.5949	0	0
-16.4739	0	0
-16.3529	0	0
-16.2319	0	0
-16.1109	0	0
-15.9899	0	0
-15.869	0	0
-15.748	0	0
-15.627	0	0
-15.506	0	0
-15.385	0	0
-15.264	0	0
-15.1431	0	0
-15.0221	0	0
-14.9011	0	0
-14.7801	0	0
-14.6591	0	0
-14.5381	0	0
-14.4172	0	0
-14.2962	0	0
-14.1752	0	0
-14.0542	0	0
-13.9332	0	0
-13.8122	0	0
-13.6913	0	0
-13.5703	0	0
-13.4493	0	0
-13.3283	0	0
-13.2073	0	0
-13.0863	0	0
-12.9654	0	0
-12.8444	0	0
-12.7234	0	0
-12.6024	0	0
-12.4814	0	0
-12.3604	0	0
-12.2395	0	0
-12.1185	0	0
-11.9975	0	0
-11.8765	0	0
-11.7555	0	0
-11.6345	0	0
-11.5136	0	0
-11.3926	0	0
-11.2716	0	0
-11.1506	0	0
-11.0296	0	0
-10.9086	0	0
-10.7877	0	0
-10.6667	0	0
-10.5457	0	0
-10.4247	0	0
-10.3037	0	0
-10.1828	0	0
-10.0618	0	0
-9.94078	0	0
-9.8198	0	0
-9.69882	0	0
-9.57783	0	0
-9.45685	0	0
-9.33587	0	0
-9.21488	0	0
-9.0939	0	0
-8.97292	0	0
-8.85194	0	0
-8.73095	0	0
-8.60997	0	0
-8.48899	0	0
-8.368	0	0
-8.24702	0	0
-8.12604	0	0
-8.00505	0	0
-7.88407	0	0
-7.76309	0	0
-7.6421	0	0
-7.52112	0	0
-7.40014	0	0
-7.27915	0	0
-7.15817	0	0
-7.03719	0	0
-6.9162	0	0
-6.79522	0	0
-6.67424	0	0
-6.55326	0	0
-6.43227	0	0
-6.31129	0	0
-6.19031	0	0
-6.06932	0	0
-5.94834	0	0
-5.82736	0	0
-5.70637	0	0
-5.58539	0	0
-5.46441	0	0
-5.34342	0	0
-5.22244	0	0
-5.10146	0	0
-4.98047	0	0
-4.85949	0	0
-4.73851	0	0
-4.61752	0	0
-4.49654	0	0
-4.37556	0	0
-4.25457	0	0
-4.13359	0	0
-4.01261	0	0
-3.89163	0	0
-3.77064	0	0
-3.64966	0	0
-3.52868	0	0
-3.40769	0	0
-3.28671	0	0
-3.16573	0	0
-3.04474	0	0
-2.92376	0	0
-2.80278	0	0
-2.68179	0	0
-2.56081	0	0
-2.43983	0	0
-2.31884	0	0
-2.19786	0	0
-2.07688	0	0
-1.95589	0	0
-1.83491	0	0
-1.71393	0	0
-1.59295	0	0
-1.47196	0	0
-1.35098	0	0
-1.23	1.00599	0.271727
-1.10901	1.7414	0.358763
-0.988029	1.55417	0.337727
-0.867046	1.72731	0.356466
-0.746063	1.47613	0.325757
-0.62508	0.905902	0.258136
-0.504097	0.7619	0.233603
-0.383113	0.622262	0.215823
-0.26213	1.84269	0.36857
-0.141147	0.94814	0.265159
-0.0201639	1.82992	0.371116
0.100819	1.97262	0.383467
0.221802	1.8383	0.370602
0.342786	1.84764	0.370395
0.463769	1.33118	0.312772
0.584752	1.35651	0.323838
0.705735	0.712003	0.229152
0.826718	0.432541	0.180599
0.947701	0.655336	0.224768
1.06868	0.713854	0.233289
1.18967	0.470342	0.186995
1.31065	0.367217	0.166351
1.43163	0.358769	0.168497
1.55262	0.527109	0.204631
1.6736	0.284804	0.146625
1.79458	0.23413	0.133868
1.91557	0.408928	0.175956
2.03655	0.440057	0.184352
2.15753	0.633688	0.220605
2.27852	0.330196	0.160531
2.3995	0.310088	0.153844
2.52048	0.642078	0.22481
2.64147	1.05273	0.284896
2.76245	0.388933	0.172397
2.88343	0.216615	0.128414
3.00442	0.37925	0.172595
3.1254	0.608404	0.215754
3.24638	0.416457	0.183103
3.36736	0.540759	0.205594
3.48835	0.742339	0.240811
3.60933	0.821591	0.25142
3.73031	0.599754	0.215686
3.8513	0.573359	0.21127
3.97228	0.769486	0.24427
4.09326	0.573408	0.215039
4.21425	0.533233	0.205028
4.33523	0.772061	0.244385
4.45621	0.430452	0.185264
4.5772	0.901552	0.267226
4.69818	0.457263	0.189416
4.81916	0.396287	0.178553
4.94015	0.665734	0.231652
5.06113	0.829486	0.254431
5.18211	0.79261	0.254635
5.3031	0.590366	0.215512
5.42408	0.884153	0.267417
5.54506	0.371258	0.172598
5.66605	0.388955	0.178656
5.78703	0.518448	0.205622
5.90801	0.80145	0.25594
6.02899	0.457877	0.192356
6.14998	0.633211	0.225147
6.27096	0.91903	0.270936
6.39194	0.594721	0.218164
6.51293	1.01935	0.282145
6.63391	1.19619	0.309709
6.75489	0.729156	0.234672
6.87588	0.602401	0.220288
6.99686	1.18032	0.312099
7.11784	0.599476	0.217569
7.23883	0.732548	0.240329
7.35981	0.688785	0.230201
7.48079	0.89368	0.266955
7.60178	0.736757	0.237446
7.72276	0.849065	0.252945
7.84374	0.983179	0.279333
7.96473	0.596066	0.220313
8.08571	0.810139	0.254125
8.20669	0.438789	0.18808
8.32767	0.854805	0.257518
8.44866	0.497074	0.191158
8.56964	0.679764	0.229345
8.69062	0.687559	0.228902
8.81161	1.14563	0.297997
8.93259	1.54988	0.353794
9.05357	0.93329	0.273844
9.17456	1.02225	0.274991
9.29554	1.26357	0.32002
9.41652	0.415338	0.177295
9.53751	1.21296	0.306234
9.65849	0.760596	0.250188
9.77947	1.01609	0.28076
9.90046	1.05911	0.284502
10.0214	0.814126	0.245871
10.1424	0.951321	0.26708
10.2634	0.846501	0.254142
10.3844	1.13605	0.296653
10.5054	1.10831	0.27363
10.6264	0.952408	0.258115
10.7473	1.14825	0.294546
10.8683	1.11536	0.293117
10.9893	1.35991	0.315226
11.1103	1.15614	0.289515
11.2313	0.773237	0.230998
11.3523	1.17778	0.301426
11.4732	0.793369	0.228877
11.5942	1.07656	0.275513
11.7152	1.23189	0.305958
11.8362	0.941801	0.248564
11.9572	0.877551	0.238948
12.0782	1.25924	0.304489
12.1991	1.01042	0.272062
12.3201	0.91343	0.250369
12.4411	1.56059	0.351994
12.5621	1.09424	0.285273
12.6831	1.46489	0.337006
12.8041	1.13326	0.2984
12.925	0.890801	0.238623
13.046	1.52643	0.345542
13.167	1.09888	0.273865
13.288	1.18999	0.293735
13.409	1.30906	0.300944
13.53	0.807005	0.238981
13.6509	0.950543	0.242094
13.7719	1.43744	0.321602
13.8929	0.89899	0.23749
14.0139	1.12573	0.27634
14.1349	1.00992	0.265771
14.2559	1.24269	0.295091
14.3768	1.82441	0.375311
14.4978	0.952935	0.245912
14.6188	0.976629	0.244581
14.7398	0.669741	0.181802
14.8608	1.02594	0.259965
14.9817	1.11224	0.270287
15.1027	0.989953	0.247791
15.2237	1.40579	0.307464
15.3447	1.2337	0.28653
15.4657	0.85864	0.228625
15.5867	0.970602	0.242635
15.7076	1.19482	0.289739
15.8286	1.33137	0.30433
15.9496	1.42752	0.292957
16.0706	0.772266	0.187675
16.1916	1.09097	0.261839
16.3126	0.927644	0.219971
16.4335	1.04341	0.243037
16.5545	0.771062	0.200558
16.6755	1.10228	0.259841
16.7965	0.967605	0.24153
16.9175	0.63167	0.136464
17.0385	1.05969	0.253308
17.1594	0.884263	0.202418
17.2804	1.00825	0.222094
17.4014	1.2228	0.282621
17.5224	1.03325	0.216343
17.6434	1.07017	0.265551
17.7644	0.648332	0.158482
17.8853	1.06636	0.225428
18.0063	0.805285	0.181087
18.1273	0.584793	0.100435
18.2483	0.844656	0.207788
18.3693	0.85345	0.187475
18.4903	0.898175	0.183912
18.6112	0.766792	0.165135
18.7322	0.922949	0.182645
18.8532	0.794224	0.16416
18.9742	0.980339	0.178619
19.0952	0.85336	0.143218
19.2162	0.748099	0.121312
19.3371	0.671892	0.14004
19.4581	0.602411	0.0869357
19.5791	0.667807	0.0871878
19.7001	0.571713	0.0720624
19.8211	0.713416	0.0991419
19.9421	0.6396	0.0862774
20.063	0.692246	0.0839576
20.184	0.538081	0.0695096
20.305	0.613406	0.0717749
20.426	0.565701	0.0675213
20.547	0.538663	0.0611572
20.668	0.56705	0.0631267
20.7889	0.641559	0.068772
20.9099	0.483278	0.0586848
21.0309	0.666962	0.0701194
21.1519	0.667239	0.0699965
21.2729	0.646399	0.0681286
21.3939	0.677423	0.0695705
21.5148	0.603514	0.0653744
21.6358	0.566418	0.0622259
21.7568	0.68872	0.0680247
21.8778	0.693646	0.0678004
21.9988	0.750728	0.0697388
22.1198	0.699178	0.0675336
22.2407	0.627211	0.0646884
22.3617	0.664556	0.0656873
22.4827	0.598034	0.0611747
22.6037	0.647921	0.0641455
22.7247	0.594886	0.0619962
22.8457	0.804516	0.0714191
22.9666	0.611825	0.0621258
23.0876	0.713825	0.0670971
23.2086	0.770761	0.0701064
23.3296	0.673731	0.0646476
23.4506	0.607981	0.0613957
23.5716	0.574171	0.0591104
23.6925	0.656704	0.063937
23.8135	0.677169	0.0644605
23.9345	0.540089	0.0579429
24.0555	0.726293	0.0666416
24.1563	0.608708	0.0752569
24.2571	0.641242	0.0627375
24.3784	0.751361	0.0679756
24.5003	0.699016	0.0651017
24.6228	0.689195	0.0652256
24.7459	0.721751	0.0660257
24.8696	0.612791	0.0611031
24.994	0.727366	0.0655443
25.119	0.695427	0.0639188
25.2446	0.575966	0.0584988
25.3708	0.735392	0.0653505
25.4976	0.651363	0.0613805
25.6251	0.684437	0.0626595
25.7533	0.757077	0.0658433
25.882	0.649414	0.0610055
26.0114	0.644605	0.0606252
26.1415	0.633793	0.0591938
26.2722	0.690115	0.0621403
26.4036	0.775645	0.0661559
26.5356	0.718467	0.0627758
26.6682	0.720237	0.0633208
26.8016	0.716461	0.0629876
26.9356	0.652772	0.0592342
27.0703	0.790106	0.065333
27.2056	0.767078	0.0641074
27.3417	0.711514	0.0609837
27.4784	0.723742	0.0621409
27.6158	0.683209	0.059835
27.7538	0.74178	0.0620139
27.8926	0.682383	0.0593276
28.0321	0.639849	0.0571902
28.1722	0.81051	0.0647848
28.3131	0.646897	0.0570419
28.4547	0.776207	0.0627014
28.5969	0.656875	0.0572693
28.7399	0.694148	0.0589358
28.8836	0.715489	0.0589973
29.028	0.6951	0.0584799
29.1732	0.748794	0.0605928
29.319	0.787447	0.0621729
29.4656	0.634933	0.0558736
29.613	0.809549	0.0625161
29.761	0.764408	0.060551
29.9098	0.671309	0.0561248
30.0594	0.770416	0.0600567
30.2097	0.84157	0.0624277
30.3607	0.709836	0.0576445
30.5125	0.652716	0.0545921
30.6651	0.792467	0.0601552
30.8184	0.737067	0.0578598
30.9725	0.731218	0.0579798
31.1274	0.675013	0.0545231
31.283	0.666526	0.0548685
31.4394	0.7551	0.0576113
31.5966	0.79413	0.0593832
31.7546	0.732841	0.0566949
31.9134	0.715619	0.0558337
32.0729	0.711519	0.0555696
32.2333	0.742436	0.056279
32.3945	0.731524	0.0561894
32.5564	0.67957	0.0538191
32.7192	0.784776	0.0575641
32.8828	0.780179	0.057214
33.0472	0.626824	0.0506072
33.2125	0.684519	0.053166
33.3785	0.653503	0.0518838
33.5454	0.654092	0.0514672
33.7132	0.664194	0.0520354
33.8817	0.745452	0.054818
34.0511	0.73064	0.0539769
34.2214	0.754061	0.0544478
34.3925	0.727135	0.0532537
34.5645	0.758408	0.0541321
34.7373	0.860355	0.0578491
34.911	0.685382	0.0514117
35.0855	0.799711	0.0552995
35.2609	0.792481	0.0547102
35.4373	0.758063	0.0534274
35.6144	0.701083	0.0514071
35.7925	0.768675	0.0537837
35.9715	0.730071	0.0520474
36.1513	0.769393	0.0533537
36.3321	0.642284	0.0485619
36.5137	0.678718	0.0496584
36.6963	0.767813	0.0524613
36.8798	0.798515	0.0534897
37.0642	0.754216	0.0519256
37.2495	0.673849	0.0488848
37.4358	0.837949	0.0542175
37.6229	0.719569	0.0500627
37.8111	0.712594	0.0496573
38.0001	0.629002	0.0467882
38.1901	0.682323	0.0483201
38.3811	0.646657	0.0470632
38.573	0.683651	0.0482585
38.7658	0.740233	0.049695
38.9597	0.701387	0.0482763
39.1545	0.715051	0.0486044
39.3502	0.647066	0.046141
39.547	0.703606	0.0480359
39.7447	0.758323	0.0495429
39.9434	0.771758	0.0498457
40.1432	0.768551	0.0495553
40.3439	0.723903	0.0481197
40.5456	0.702599	0.0472079
40.7483	0.728548	0.0479628
40.9521	0.764905	0.0490448
41.1568	0.728253	0.0474747
41.3626	0.764389	0.0487315
41.5694	0.69177	0.0459703
41.7773	0.781082	0.0487306
41.9862	0.80734	0.0494144
42.1961	0.659118	0.0444859
42.4071	0.778489	0.048031
42.6191	0.775053	0.0479994
42.8322	0.702978	0.04566
43.0464	0.699233	0.0454184
43.2616	0.781662	0.0476585
43.4779	0.676362	0.0441333
43.6953	0.682206	0.0443239
43.9138	0.671518	0.0440028
44.1333	0.736954	0.0455441
44.354	0.710596	0.0446961
44.5758	0.683498	0.043779
44.7987	0.775986	0.0463779
45.0226	0.734892	0.0453198
45.2478	0.729041	0.0448741
45.474	0.77659	0.0461018
45.7014	0.782092	0.046051
45.9299	0.701173	0.0435326
46.1595	0.662656	0.0421126
46.3903	0.681587	0.0426391
46.6223	0.683483	0.0423909
46.8554	0.710591	0.0431307
47.0897	0.721933	0.0434209
47.3251	0.678096	0.042148
47.5617	0.677242	0.0417911
47.7995	0.780286	0.0447042
48.0385	0.706637	0.0424124
48.2787	0.698321	0.0421633
48.5201	0.766198	0.0439401
48.7627	0.735234	0.0429724
49.0065	0.732095	0.0427594
49.2516	0.726927	0.0425732
49.4978	0.756348	0.0430487
49.7453	0.701854	0.0414408
49.994	0.661521	0.0401445
50.244	0.731294	0.0420475
50.4952	0.745627	0.0423464
50.7477	0.765222	0.0427927
51.0015	0.69126	0.0404966
51.2565	0.682684	0.0401619
51.5127	0.639109	0.0387521
51.7703	0.684438	0.0399542
52.0292	0.707289	0.0405855
52.2893	0.691678	0.040074
52.5507	0.68458	0.039576
52.8135	0.771203	0.0418864
53.0776	0.749925	0.0412965
53.343	0.759232	0.0414664
53.6097	0.727958	0.0403706
53.8777	0.747102	0.0409215
54.1471	0.752384	0.0408481
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853.901	0.285832	0.0118007
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879.84	0.31769	0.0125975
884.239	0.335461	0.0129588
888.661	0.329412	0.0128718
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897.569	0.330795	0.0129143
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1934.82	0.27992	0.014563
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1954.22	0.276852	0.0145526
1963.99	0.259609	0.0141044
1973.81	0.251729	0.0138952
1983.68	0.281571	0.0146856
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3348.95	0.292463	0.0163013
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3663.51	0.272667	0.0160561
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3756.02	0.270034	0.0160892
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4631.29	0.247822	0.0162859
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4701.11	0.268069	0.0168733
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5767.79	0.250703	0.0170842
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5825.61	0.289679	0.0183561
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6215.84	0.287455	0.0186216
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6309.55	0.225585	0.0165221
6341.09	0.252501	0.0174785
6372.8	0.250049	0.017445
6404.66	0.246184	0.0173002
6436.69	0.254585	0.0175852
6468.87	0.262738	0.0179153
6501.22	0.275341	0.0183512
6533.72	0.272181	0.0182751
6566.39	0.254372	0.0176824
6599.22	0.246633	0.0173642
6632.22	0.260901	0.0178803
6665.38	0.250477	0.0175221
6698.71	0.252663	0.0176608
6732.2	0.251667	0.017599
6765.86	0.255072	0.0177724
6799.69	0.255775	0.0178413
6833.69	0.245169	0.017487
6867.86	0.274582	0.0184839
6902.2	0.282816	0.0188243
6936.71	0.243604	0.0174784
6971.39	0.246033	0.0175749
7006.25	0.256662	0.0179545
7041.28	0.236731	0.0172713
7076.49	0.259535	0.0180393
7111.87	0.263991	0.0182317
7147.43	0.255536	0.0179774
7183.16	0.247691	0.0177214
7219.08	0.252858	0.017986
7255.18	0.238172	0.0174298
7291.45	0.257279	0.018149
7327.91	0.247139	0.0178163
7364.55	0.252506	0.018032
7401.37	0.251339	0.01805
7438.38	0.227874	0.0171493
7475.57	0.247777	0.0179566
7512.95	0.249835	0.0179523
7550.51	0.244756	0.0178034
7588.26	0.241588	0.0177391
7626.21	0.248441	0.0179974
7664.34	0.24611	0.0179186
7702.66	0.234288	0.0175016
7741.17	0.270877	0.0188
7779.88	0.264383	0.0186595
7818.78	0.26216	0.0185689
7857.87	0.234954	0.0176214
7897.16	0.221215	0.0171153
7936.65	0.215623	0.0168958
7976.33	0.238911	0.0178537
8016.21	0.260775	0.018648
8050.87	0.226971	0.0203039