Quinine, C20H24N2O2, 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	1.32221	0.492808
-1.47196	3.45182	0.731089
-1.35098	2.76694	0.475299
-1.23	3.41978	1.03343
-1.10901	2.19044	0.711757
-0.988029	1.00135	0.156007
-0.867046	1.02777	0.375629
-0.746063	0.763236	0.359098
-0.62508	0.89681	0.219109
-0.504097	1.47954	0.626478
-0.383113	1.80124	0.56344
-0.26213	1.53387	0.527079
-0.141147	1.46952	0.424663
-0.0201639	2.22383	0.70114
0.100819	1.03366	0.196804
0.221802	1.97676	0.818649
0.342786	1.45675	0.631418
0.463769	1.55582	0.603024
0.584752	0.844527	0.128542
0.705735	1.04644	0.382195
0.826718	0.749367	0.120843
0.947701	1.36334	0.584997
1.06868	1.04246	0.625002
1.18967	1.18182	0.510099
1.31065	0.405078	0.289951
1.43163	0.726193	0.440019
1.55262	0.868914	0.523304
1.6736	0.588326	0.365877
1.79458	0.381255	0.132982
1.91557	0.66891	0.286874
2.03655	1.33866	0.73969
2.15753	0.574261	0.253673
2.27852	1.05597	0.612548
2.3995	0.594169	0.343919
2.52048	1.12715	0.54864
2.64147	0.482654	0.269248
2.76245	0.543803	0.226976
2.88343	0.24127	0.0679032
3.00442	0.923949	0.560814
3.1254	1.91018	1.11077
3.24638	0.87984	0.535807
3.36736	0.207153	0.0638118
3.48835	0.417791	0.151128
3.60933	0.191381	0.0607883
3.73031	1.10628	0.413981
3.8513	0.624466	0.263886
3.97228	0.437602	0.240811
4.09326	0.593392	0.304273
4.21425	1.15904	0.588016
4.33523	1.16511	0.564582
4.45621	1.10359	0.427815
4.5772	0.799449	0.38247
4.69818	1.80127	0.727051
4.81916	2.06386	0.772633
4.94015	0.814554	0.413857
5.06113	1.46047	0.73124
5.18211	0.7371	0.275865
5.3031	1.09139	0.461007
5.42408	0.256675	0.0864407
5.54506	2.04733	0.950544
5.66605	0.543761	0.230892
5.78703	0.511209	0.323142
5.90801	0.831389	0.371391
6.02899	1.00383	0.595757
6.14998	0.786251	0.503674
6.27096	1.86615	0.882446
6.39194	1.32734	0.489508
6.51293	0.796468	0.521477
6.63391	1.1018	0.54217
6.75489	0.802634	0.357326
6.87588	1.24862	0.70404
6.99686	0.685684	0.307347
7.11784	0.960908	0.282179
7.23883	1.06427	0.377165
7.35981	0.881457	0.569045
7.48079	0.867892	0.446304
7.60178	1.20389	0.499042
7.72276	1.24105	0.390767
7.84374	0.817296	0.325597
7.96473	1.36962	0.583749
8.08571	1.8182	0.705268
8.20669	1.40697	0.939849
8.32767	1.25148	0.551708
8.44866	1.35076	0.522412
8.56964	0.472567	0.106161
8.69062	0.757132	0.290882
8.81161	1.74146	0.667366
8.93259	0.768424	0.235397
9.05357	0.778228	0.285599
9.17456	0.685748	0.178991
9.29554	1.16721	0.599235
9.41652	1.54669	0.675592
9.53751	1.19285	0.608395
9.65849	1.26449	0.560934
9.77947	1.90546	0.698957
9.90046	3.23196	1.17549
10.0214	0.903806	0.434496
10.1424	1.9081	0.824743
10.2634	0.764829	0.2237
10.3844	1.85701	0.7479
10.5054	1.27703	0.444492
10.6264	1.47398	0.548879
10.7473	1.8744	0.624687
10.8683	2.0635	0.728919
10.9893	0.598174	0.144305
11.1103	1.83463	0.691973
11.2313	1.46071	0.419135
11.3523	0.894761	0.259475
11.4732	3.10066	1.09194
11.5942	1.68624	0.481638
11.7152	1.43798	0.590373
11.8362	1.21039	0.464598
11.9572	1.35995	0.493555
12.0782	2.59759	1.08472
12.1991	2.67946	0.971339
12.3201	1.17219	0.564245
12.4411	2.22241	0.830984
12.5621	1.61466	0.555706
12.6831	1.86284	0.693225
12.8041	1.67479	0.628066
12.925	1.65902	0.605352
13.046	1.14654	0.423693
13.167	1.89449	0.626014
13.288	1.03458	0.326753
13.409	1.44889	0.334292
13.53	0.82195	0.221311
13.6509	1.18187	0.363343
13.7719	1.17079	0.274004
13.8929	1.47202	0.393905
14.0139	1.50796	0.535261
14.1349	1.53292	0.460439
14.2559	1.41769	0.436722
14.3768	1.79857	0.572486
14.4978	0.726887	0.163342
14.6188	1.11515	0.421853
14.7398	1.15513	0.312951
14.8608	1.0347	0.28861
14.9817	1.2025	0.313162
15.1027	1.15419	0.237364
15.2237	1.58947	0.422892
15.3447	1.28711	0.348975
15.4657	1.31176	0.373428
15.5867	1.36666	0.378047
15.7076	1.02852	0.242676
15.8286	1.29489	0.278341
15.9496	0.901389	0.215394
16.0706	1.41984	0.347249
16.1916	1.42093	0.34056
16.3126	1.3102	0.309271
16.4335	0.857089	0.186216
16.5545	1.42967	0.270799
16.6755	0.900587	0.223183
16.7965	0.942104	0.246742
16.9175	1.23615	0.286523
17.0385	1.30022	0.284459
17.1594	1.30812	0.312417
17.2804	1.12892	0.218124
17.4014	1.40676	0.253764
17.5224	0.842292	0.17178
17.6434	1.34507	0.278519
17.7644	1.29334	0.262909
17.8853	1.32566	0.24758
18.0063	1.09558	0.232806
18.1273	1.46385	0.249805
18.2483	1.13548	0.212638
18.3693	1.22481	0.230575
18.4903	1.15301	0.21986
18.6112	0.933616	0.187091
18.7322	1.04972	0.218017
18.8532	1.06271	0.219324
18.9742	1.03774	0.179074
19.0952	1.00816	0.204942
19.2162	0.880783	0.185751
19.3371	0.930968	0.173336
19.4581	1.14766	0.225309
19.5791	1.1748	0.211129
19.7001	1.03206	0.187352
19.8211	1.35559	0.219547
19.9421	0.813112	0.159196
20.063	0.791887	0.167165
20.184	1.10053	0.188511
20.305	1.01784	0.171717
20.426	1.33672	0.2268
20.547	1.12459	0.200501
20.668	1.28582	0.220887
20.7889	1.09846	0.187667
20.9099	0.916303	0.173177
21.0309	0.977981	0.162554
21.1519	1.06558	0.17941
21.2729	1.18026	0.196096
21.3939	1.23522	0.203533
21.5148	1.20446	0.194515
21.6358	1.05105	0.175839
21.7568	1.13274	0.188775
21.8778	1.11667	0.185322
21.9988	0.988043	0.165961
22.1198	0.745626	0.154282
22.2407	1.16496	0.190568
22.3617	1.09773	0.187835
22.4827	0.772297	0.15091
22.6037	1.46208	0.201457
22.7247	1.28625	0.198071
22.8457	1.1434	0.180316
22.9666	1.0233	0.16566
23.0876	1.0195	0.159534
23.2086	0.955735	0.160708
23.3296	1.19396	0.182976
23.4506	1.22641	0.189566
23.5716	1.11302	0.181288
23.6925	1.07038	0.175515
23.8135	0.959186	0.160854
23.9345	0.989177	0.15342
24.0555	0.831767	0.140742
24.1563	0.903162	0.190036
24.2571	1.00319	0.131479
24.3784	1.09947	0.134773
24.5003	1.20161	0.139462
24.6228	0.810929	0.110596
24.7459	1.01133	0.125142
24.8696	0.991079	0.124405
24.994	1.00171	0.124475
25.119	1.02602	0.122772
25.2446	0.862054	0.110931
25.3708	1.17327	0.130987
25.4976	1.06668	0.121742
25.6251	0.970302	0.116202
25.7533	1.04283	0.121256
25.882	0.714283	0.097256
26.0114	0.703867	0.0990979
26.1415	1.03378	0.120415
26.2722	1.0187	0.117703
26.4036	0.975951	0.115695
26.5356	0.996988	0.113522
26.6682	0.883725	0.104891
26.8016	1.10427	0.12028
26.9356	1.1151	0.121463
27.0703	0.728325	0.0948368
27.2056	1.01053	0.114189
27.3417	0.96836	0.105756
27.4784	0.83665	0.0982792
27.6158	1.04582	0.112884
27.7538	1.04488	0.113085
27.8926	0.823133	0.0981594
28.0321	0.948685	0.103794
28.1722	0.974305	0.106556
28.3131	0.760888	0.091275
28.4547	1.05208	0.107549
28.5969	1.04492	0.108302
28.7399	0.974322	0.10274
28.8836	0.804774	0.0943429
29.028	0.682426	0.08606
29.1732	0.788217	0.0889023
29.319	0.918107	0.0984016
29.4656	0.875958	0.0940747
29.613	0.909558	0.0987614
29.761	0.98957	0.100354
29.9098	0.929162	0.0968176
30.0594	0.896646	0.0940641
30.2097	1.0365	0.102382
30.3607	0.685875	0.0795747
30.5125	0.871982	0.0904688
30.6651	0.772797	0.0845671
30.8184	0.772091	0.0850205
30.9725	0.956063	0.093496
31.1274	0.996553	0.0947295
31.283	0.954566	0.0948829
31.4394	0.740213	0.081894
31.5966	0.948968	0.0923515
31.7546	0.870475	0.0877701
31.9134	0.714794	0.0784283
32.0729	0.79206	0.0829181
32.2333	0.991603	0.0928536
32.3945	0.800703	0.0835336
32.5564	0.901129	0.0877524
32.7192	0.880107	0.0857039
32.8828	0.900559	0.0871478
33.0472	0.734924	0.0775286
33.2125	0.858758	0.0824842
33.3785	0.857257	0.0825847
33.5454	0.635888	0.0711091
33.7132	0.877717	0.0838431
33.8817	0.657584	0.0709992
34.0511	0.842047	0.0806223
34.2214	0.863215	0.0819602
34.3925	0.797325	0.0780595
34.5645	0.807383	0.0785584
34.7373	0.623095	0.0679451
34.911	0.867658	0.0807946
35.0855	0.785711	0.0755663
35.2609	0.76661	0.0748582
35.4373	0.683751	0.0703013
35.6144	0.768127	0.0744112
35.7925	0.727677	0.07115
35.9715	0.742639	0.0721852
36.1513	0.867266	0.077543
36.3321	0.795527	0.0731237
36.5137	0.795375	0.0735388
36.6963	0.653527	0.0662762
36.8798	0.682065	0.0683948
37.0642	0.666962	0.0666201
37.2495	0.700638	0.0680098
37.4358	0.728397	0.0696823
37.6229	0.760347	0.0711239
37.8111	0.720785	0.0687441
38.0001	0.759461	0.0703687
38.1901	0.781161	0.0709619
38.3811	0.809974	0.0717686
38.573	0.713215	0.0673983
38.7658	0.643316	0.0638294
38.9597	0.74646	0.0682274
39.1545	0.706219	0.0666686
39.3502	0.734611	0.0668021
39.547	0.619743	0.0613717
39.7447	0.629712	0.0620347
39.9434	0.763277	0.0674273
40.1432	0.6936	0.0643587
40.3439	0.693316	0.0638173
40.5456	0.789598	0.0681614
40.7483	0.624334	0.0598982
40.9521	0.626873	0.0599549
41.1568	0.614911	0.0593178
41.3626	0.580733	0.0575832
41.5694	0.591289	0.0580478
41.7773	0.592373	0.057772
41.9862	0.606704	0.0581483
42.1961	0.611005	0.058304
42.4071	0.756162	0.0646901
42.6191	0.704042	0.0621827
42.8322	0.691757	0.0616982
43.0464	0.691974	0.0613626
43.2616	0.641003	0.0586229
43.4779	0.590003	0.0560566
43.6953	0.578364	0.0557089
43.9138	0.747776	0.0630684
44.1333	0.663124	0.0589443
44.354	0.679723	0.0596225
44.5758	0.640904	0.057704
44.7987	0.570152	0.0543022
45.0226	0.659092	0.0579524
45.2478	0.562313	0.0530572
45.474	0.710056	0.0595677
45.7014	0.587186	0.0540985
45.9299	0.665911	0.0577065
46.1595	0.69363	0.0584633
46.3903	0.530368	0.0508356
46.6223	0.629956	0.0553159
46.8554	0.640536	0.0560203
47.0897	0.555588	0.0520618
47.3251	0.638226	0.0554105
47.5617	0.752986	0.0598012
47.7995	0.640309	0.0553426
48.0385	0.599309	0.0537132
48.2787	0.487102	0.047681
48.5201	0.551216	0.0508737
48.7627	0.501234	0.0483117
49.0065	0.556036	0.0504197
49.2516	0.594466	0.0520913
49.4978	0.613843	0.0529092
49.7453	0.679037	0.0555293
49.994	0.634332	0.0532936
50.244	0.677462	0.055055
50.4952	0.559723	0.0497229
50.7477	0.676196	0.0545199
51.0015	0.740318	0.0570791
51.2565	0.553719	0.0491778
51.5127	0.746211	0.0571848
51.7703	0.677858	0.0542325
52.0292	0.655024	0.053129
52.2893	0.564641	0.0491568
52.5507	0.676822	0.0536345
52.8135	0.735971	0.0558303
53.0776	0.705551	0.054582
53.343	0.666253	0.0526335
53.6097	0.637822	0.0513494
53.8777	0.578295	0.0489251
54.1471	0.603655	0.0501979
54.4178	0.560705	0.0478083
54.6899	0.725749	0.0543725
54.9634	0.724366	0.0540192
55.2382	0.711854	0.0534281
55.5144	0.715528	0.0536803
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6632.22	0.540543	0.0386298
6665.38	0.538164	0.0386117
6698.71	0.521422	0.0381133
6732.2	0.486783	0.0368816
6765.86	0.494561	0.0372427
6799.69	0.490657	0.0371266
6833.69	0.496792	0.037398
6867.86	0.522256	0.0384014
6902.2	0.502347	0.0375343
6936.71	0.492005	0.0371953
6971.39	0.489174	0.0371847
7006.25	0.49354	0.0373943
7041.28	0.522949	0.038618
7076.49	0.507541	0.0380388
7111.87	0.504433	0.0379122
7147.43	0.515921	0.0384345
7183.16	0.545839	0.0396395
7219.08	0.550624	0.0398456
7255.18	0.539168	0.0394557
7291.45	0.510853	0.0384509
7327.91	0.514931	0.038648
7364.55	0.517104	0.0387178
7401.37	0.512693	0.0385334
7438.38	0.517763	0.0387586
7475.57	0.481311	0.0375699
7512.95	0.490819	0.0380092
7550.51	0.514958	0.0389441
7588.26	0.523297	0.0391428
7626.21	0.510156	0.0388537
7664.34	0.521722	0.0393489
7702.66	0.548305	0.0403423
7741.17	0.50266	0.038649
7779.88	0.50224	0.0386643
7818.78	0.49697	0.0384817
7857.87	0.473284	0.0376467
7897.16	0.480162	0.0379346
7936.65	0.50058	0.0388099
7976.33	0.529372	0.0400057
8016.21	0.525732	0.0399142
8050.87	0.493513	0.0451638