Salicylamide, C7H7NO2, S. Parsons, University of Endinburgh, CrystEngComm. 12 (2010) 1065-1078
C (CM-1)    COUNTS      ERROR
24.2571	0.451921	0.0727755
24.3784	0.535459	0.0859198
24.5003	0.347286	0.0633792
24.6228	0.556507	0.0765949
24.7459	0.399086	0.0681879
24.8696	0.541191	0.0780382
24.994	0.355932	0.0623786
25.119	0.468455	0.0694498
25.2446	0.454964	0.0694991
25.3708	0.362274	0.0596914
25.4976	0.459371	0.0669711
25.6251	0.296126	0.0521066
25.7533	0.381497	0.0598468
25.882	0.394715	0.0600126
26.0114	0.335913	0.0569256
26.1415	0.400821	0.0612754
26.2722	0.560516	0.071999
26.4036	0.443897	0.0621732
26.5356	0.46365	0.0640008
26.6682	0.420023	0.0608362
26.8016	0.36857	0.0566164
26.9356	0.407953	0.0593022
27.0703	0.424933	0.0602438
27.2056	0.477823	0.0640485
27.3417	0.43734	0.0605749
27.4784	0.589894	0.0700635
27.6158	0.406993	0.0579129
27.7538	0.412597	0.058439
27.8926	0.527721	0.0657673
28.0321	0.534134	0.0660947
28.1722	0.474077	0.0619714
28.3131	0.431667	0.0592916
28.4547	0.433717	0.058681
28.5969	0.460635	0.0600266
28.7399	0.49099	0.0632058
28.8836	0.497961	0.0630638
29.028	0.465295	0.0606681
29.1732	0.45405	0.0598775
29.319	0.547722	0.064612
29.4656	0.521601	0.0627595
29.613	0.523103	0.0633795
29.761	0.414692	0.0558091
29.9098	0.521905	0.0634131
30.0594	0.399773	0.0541335
30.2097	0.5868	0.0658901
30.3607	0.469115	0.0587371
30.5125	0.420629	0.0552228
30.6651	0.457078	0.0583992
30.8184	0.532179	0.0623609
30.9725	0.460886	0.0575415
31.1274	0.464127	0.0580289
31.283	0.505262	0.060308
31.4394	0.545638	0.0620254
31.5966	0.553579	0.062503
31.7546	0.434901	0.0555833
31.9134	0.510854	0.0593698
32.0729	0.570017	0.0625609
32.2333	0.533863	0.0603672
32.3945	0.521469	0.0591194
32.5564	0.505327	0.0584236
32.7192	0.501918	0.057826
32.8828	0.605044	0.0634417
33.0472	0.484517	0.0565545
33.2125	0.513786	0.0578758
33.3785	0.567221	0.0603312
33.5454	0.454132	0.0538771
33.7132	0.621571	0.0629174
33.8817	0.58822	0.0615815
34.0511	0.638553	0.0632892
34.2214	0.504418	0.0566591
34.3925	0.580451	0.0608773
34.5645	0.607011	0.0616146
34.7373	0.654252	0.0632444
34.911	0.685836	0.0645714
35.0855	0.630873	0.0618777
35.2609	0.605345	0.0600936
35.4373	0.71514	0.0653519
35.6144	0.773837	0.0678483
35.7925	0.682169	0.0634207
35.9715	0.758081	0.0667804
36.1513	0.821552	0.0693249
36.3321	0.61668	0.060022
36.5137	0.6856	0.062787
36.6963	0.76	      0.0656955
36.8798	0.600561	0.0581992
37.0642	0.672229	0.0622336
37.2495	0.744759	0.0647842
37.4358	0.715369	0.0631641
37.6229	0.680336	0.061362
37.8111	0.63477	0.0590043
38.0001	0.697802	0.0615885
38.1901	0.605912	0.0569875
38.3811	0.734132	0.0627836
38.573	0.698454	0.061449
38.7658	0.577827	0.0557326
38.9597	0.642279	0.058146
39.1545	0.652886	0.0587603
39.3502	0.805283	0.0650507
39.547	0.673485	0.059264
39.7447	0.72098	0.0608385
39.9434	0.680492	0.0592173
40.1432	0.634427	0.0567189
40.3439	0.735146	0.0606793
40.5456	0.763151	0.0619283
40.7483	0.787236	0.062629
40.9521	0.635301	0.0564526
41.1568	0.760674	0.0617392
41.3626	0.743652	0.0600254
41.5694	0.674214	0.0572052
41.7773	0.696461	0.0577868
41.9862	0.682213	0.057172
42.1961	0.773885	0.0607216
42.4071	0.744149	0.0592672
42.6191	0.71297	0.058077
42.8322	0.668224	0.0560278
43.0464	0.818285	0.061722
43.2616	0.699704	0.0564558
43.4779	0.725654	0.0575048
43.6953	0.701385	0.0564882
43.9138	0.789947	0.0597619
44.1333	0.818667	0.0604426
44.354	0.866364	0.0622148
44.5758	0.876195	0.062508
44.7987	0.775546	0.0586592
45.0226	0.716327	0.0559358
45.2478	0.675724	0.054302
45.474	0.800288	0.05902
45.7014	0.749438	0.0569144
45.9299	0.76328	0.0574675
46.1595	0.839201	0.0594187
46.3903	0.734488	0.0560017
46.6223	0.79172	0.0577287
46.8554	0.729615	0.0552082
47.0897	0.833125	0.0584506
47.3251	0.70738	0.0537319
47.5617	0.66656	0.0521774
47.7995	0.783955	0.0566087
48.0385	0.771582	0.0560628
48.2787	0.725437	0.054068
48.5201	0.606969	0.0493905
48.7627	0.711616	0.0532168
49.0065	0.675503	0.0515024
49.2516	0.632543	0.0498463
49.4978	0.618879	0.0491029
49.7453	0.61456	0.0489893
49.994	0.700392	0.0522686
50.244	0.631916	0.0492183
50.4952	0.578883	0.046769
50.7477	0.565709	0.0462304
51.0015	0.632071	0.0486105
51.2565	0.685336	0.0505175
51.5127	0.674644	0.0499774
51.7703	0.665345	0.0496684
52.0292	0.707023	0.0508773
52.2893	0.629089	0.0480485
52.5507	0.633055	0.0479756
52.8135	0.665039	0.0490421
53.0776	0.688655	0.0498321
53.343	0.743114	0.0511783
53.6097	0.723971	0.0506195
53.8777	0.681095	0.0491236
54.1471	0.771514	0.0518716
54.4178	0.657386	0.0477809
54.6899	0.855043	0.0545166
54.9634	0.899547	0.0557972
55.2382	0.784281	0.0519436
55.5144	0.787594	0.0516461
55.792	0.844581	0.0534669
56.0709	0.916064	0.0553904
56.3513	0.72905	0.0493339
56.633	0.771807	0.0506974
56.9162	0.83911	0.0525354
57.2008	0.888118	0.0539102
57.4868	0.876294	0.0533652
57.7742	0.881088	0.0533876
58.0631	0.849661	0.0524383
58.3534	0.957646	0.0551646
58.6452	0.965145	0.0556043
58.9384	1.00338	0.0563164
59.2331	1.03211	0.0566953
59.5293	1.03983	0.0569356
59.8269	1.01348	0.0559805
60.126	1.13676	0.0592676
60.4267	1.11304	0.058342
60.7288	1.11459	0.0584023
61.0324	1.12395	0.0581701
61.3376	1.16012	0.0592337
61.6443	1.21007	0.0603592
61.9525	1.15431	0.058633
62.2623	1.13068	0.0579349
62.5736	1.04929	0.0554526
62.8865	0.90763	0.0514328
63.2009	0.99729	0.0536865
63.5169	0.91086	0.0513058
63.8345	0.883678	0.0501353
64.1537	0.844671	0.0489108
64.4744	0.825332	0.048331
64.7968	0.828592	0.0480955
65.1208	0.799597	0.0471644
65.4464	0.831021	0.0480834
65.7736	0.710929	0.0442
66.1025	0.81349	0.0471034
66.433	0.806257	0.0468482
66.7652	0.727957	0.0442609
67.099	0.863714	0.0482462
67.4345	0.720045	0.0436441
67.7716	0.850694	0.0474254
68.1105	0.848545	0.0471093
68.4511	0.883485	0.0478981
68.7933	0.894218	0.0481816
69.1373	1.01163	0.0510926
69.483	0.999391	0.0504473
69.8304	0.915495	0.0484096
70.1795	1.04886	0.0515026
70.5304	1.10464	0.0526841
70.8831	1.10289	0.0525852
71.2375	1.06319	0.0514867
71.5937	0.946449	0.0486969
71.9517	1.00364	0.0497986
72.3114	0.942237	0.0480034
72.673	0.911964	0.0472703
73.0363	0.928923	0.0475308
73.4015	0.939142	0.0476166
73.7685	0.861986	0.0454861
74.1374	0.889556	0.04612
74.5081	0.800598	0.0435213
74.8806	0.761751	0.0423385
75.255	0.780621	0.0428369
75.6313	0.820699	0.0436634
76.0094	0.729618	0.0412489
76.3895	0.795085	0.042707
76.7714	0.708172	0.0402645
77.1553	0.76694	0.0418322
77.5411	0.67217	0.0388744
77.9288	0.676707	0.0389755
78.3184	0.720138	0.0401456
78.71	      0.728052	0.0402104
79.1035	0.735067	0.0404388
79.4991	0.675484	0.0386309
79.8966	0.671272	0.0384716
80.296	0.619268	0.0368262
80.6975	0.623082	0.036758
81.101	0.634143	0.0369213
81.5065	0.544078	0.0342431
81.9141	0.598344	0.0356841
82.3236	0.616162	0.0362262
82.7352	0.647057	0.0369542
83.1489	0.687656	0.0380271
83.5647	0.645288	0.0368645
83.9825	0.694751	0.0380021
84.4024	0.689878	0.0378082
84.8244	0.780199	0.040149
85.2485	0.778098	0.0400263
85.6748	0.811394	0.0406996
86.1031	0.792282	0.0402977
86.5337	0.782716	0.0399618
86.9663	0.844151	0.0413315
87.4012	0.770858	0.0394321
87.8382	0.761158	0.039094
88.2774	0.754754	0.0389184
88.7187	0.770091	0.0391789
89.1623	0.845006	0.0409389
89.6082	0.766961	0.0387153
90.0562	0.785196	0.0390909
90.5065	0.722949	0.0374266
90.959	0.820733	0.0398837
91.4138	0.78157	0.0388701
91.8709	0.785276	0.0387409
92.3302	0.758391	0.0380024
92.7919	0.759963	0.0379711
93.2558	0.649588	0.0348121
93.7221	0.663929	0.0350435
94.1907	0.751875	0.0372483
94.6617	0.729995	0.0365517
95.135	0.739841	0.0366817
95.6107	0.814424	0.0383357
96.0887	0.834583	0.0387022
96.5692	0.878944	0.0396807
97.052	0.83748	0.0386897
97.5373	0.873129	0.0393034
98.0249	0.859614	0.0388015
98.5151	0.865536	0.0388132
99.0076	0.812411	0.0375045
99.5027	0.778199	0.0365727
100	      0.789759	0.036693
100.5	      0.862647	0.0381594
101.003	0.896328	0.0388144
101.508	0.914615	0.039032
102.015	0.906755	0.0388637
102.525	0.924947	0.039082
103.038	0.905889	0.0385381
103.553	0.978473	0.0400872
104.071	0.918301	0.0385398
104.591	0.913471	0.0383591
105.114	0.860514	0.0370695
105.64	0.79255	0.0355853
106.168	0.881413	0.0374737
106.699	0.892581	0.0374904
107.232	0.849628	0.0365303
107.768	0.869943	0.0369451
108.307	0.825645	0.0357978
108.849	0.853001	0.0361984
109.393	0.798368	0.0350136
109.94	0.869986	0.0365363
110.49	0.824764	0.0353692
111.042	0.778091	0.0342495
111.597	0.755958	0.0336739
112.155	0.712442	0.0327235
112.716	0.770919	0.0338756
113.28	0.754255	0.033402
113.846	0.828762	0.0349127
114.415	0.750839	0.0331605
114.987	0.77844	0.0336969
115.562	0.869448	0.0355788
116.14	0.838129	0.0347741
116.721	0.884734	0.0356818
117.305	0.808658	0.0339285
117.891	0.834776	0.0344676
118.481	0.686687	0.031197
119.073	0.642735	0.0301481
119.668	0.606791	0.0291774
120.267	0.532228	0.0272777
120.868	0.495019	0.0261609
121.472	0.515553	0.0265816
122.08	0.594927	0.0285583
122.69	0.553736	0.0274342
123.304	0.547188	0.0273158
123.92	0.570098	0.0276181
124.54	0.582343	0.0278511
125.162	0.572202	0.0275173
125.788	0.580275	0.0276549
126.417	0.600219	0.0281319
127.049	0.538248	0.0265361
127.684	0.523131	0.0261045
128.323	0.498935	0.0254306
128.964	0.443319	0.0238361
129.609	0.416971	0.0230573
130.257	0.393532	0.0223355
130.909	0.348935	0.0210754
131.563	0.384849	0.0219603
132.221	0.376821	0.0217711
132.882	0.327856	0.0202479
133.546	0.331492	0.0202445
134.214	0.310002	0.0195904
134.885	0.308856	0.0195184
135.56	0.257196	0.017789
136.238	0.230774	0.0167766
136.919	0.208806	0.0159075
137.603	0.230212	0.0166366
138.291	0.187817	0.0149867
138.983	0.227584	0.0164638
139.678	0.246911	0.0170813
140.376	0.271869	0.0178242
141.078	0.350213	0.0201878
141.783	0.353812	0.0202066
142.492	0.411206	0.0218182
143.205	0.4771	0.0234842
143.921	0.458864	0.0229964
144.64	0.460682	0.0228704
145.364	0.482653	0.0233767
146.09	0.470677	0.0230293
146.821	0.497605	0.0236265
147.555	0.525984	0.0242392
148.293	0.481748	0.0231164
149.034	0.554838	0.0247248
149.779	0.528503	0.0240435
150.528	0.555496	0.0246632
151.281	0.54293	0.0243418
152.037	0.526321	0.0239035
152.797	0.443417	0.021951
153.561	0.34948	0.019341
154.329	0.330209	0.0188208
155.101	0.273742	0.0170442
155.876	0.248003	0.0162202
156.656	0.231944	0.0156641
157.439	0.271085	0.0167837
158.226	0.361153	0.0193665
159.017	0.448181	0.0214713
159.812	0.616443	0.0252162
160.612	0.74131	0.0275253
161.415	0.839583	0.0292495
162.222	0.881505	0.0299444
163.033	0.96313	0.0312052
163.848	0.942958	0.0308525
164.667	1.03857	0.0322689
165.491	1.01931	0.0318807
166.318	1.09812	0.0331205
167.15	0.99836	0.0314748
167.985	0.939344	0.0304514
168.825	0.801816	0.0281201
169.669	0.68059	0.025835
170.518	0.59979	0.0241627
171.37	0.553599	0.0232102
172.227	0.5743	0.0235823
173.088	0.621199	0.0244697
173.954	0.583499	0.0236783
174.823	0.592046	0.0238209
175.698	0.554224	0.0230473
176.576	0.515342	0.0221826
177.459	0.494141	0.0216579
178.346	0.446552	0.02053
179.238	0.385202	0.0190516
180.134	0.363278	0.018472
181.035	0.315299	0.0171668
181.94	0.270901	0.0159044
182.85	0.248416	0.0152247
183.764	0.226532	0.0144704
184.683	0.215167	0.014067
185.606	0.166424	0.0123319
186.534	0.159131	0.0120624
187.467	0.143521	0.0114233
188.404	0.13542	0.0110374
189.346	0.13199	0.0108765
190.293	0.13158	0.0108138
191.244	0.120049	0.0103187
192.201	0.126737	0.0106002
193.162	0.144979	0.0112933
194.128	0.111181	0.0098769
195.098	0.135824	0.0108884
196.074	0.143034	0.0111612
197.054	0.130798	0.0106718
198.039	0.139681	0.0110065
199.029	0.113713	0.00989132
200.025	0.126753	0.0103882
201.025	0.112428	0.00980383
202.03	0.122265	0.0101787
203.04	0.131882	0.0105836
204.055	0.126465	0.0103098
205.075	0.151147	0.0112659
206.101	0.136519	0.0106981
207.131	0.131198	0.0104309
208.167	0.118135	0.00988625
209.208	0.135937	0.0106063
210.254	0.119544	0.00990766
211.305	0.110057	0.00951345
212.362	0.116314	0.00974211
213.424	0.132588	0.0103771
214.491	0.11783	0.00979389
215.563	0.127465	0.0101443
216.641	0.121155	0.00992198
217.724	0.128355	0.0101494
218.813	0.124337	0.0100145
219.907	0.124001	0.00994566
221.006	0.114539	0.00953609
222.111	0.125596	0.0100195
223.222	0.120396	0.00974864
224.338	0.128377	0.0100069
225.46	0.135585	0.0103072
226.587	0.144576	0.0105918
227.72	0.128279	0.00999664
228.859	0.12747	0.0099701
230.003	0.142239	0.010494
231.153	0.118166	0.00954624
232.309	0.117851	0.00947613
233.47	0.143221	0.0105609
234.638	0.136415	0.0102485
235.811	0.132263	0.0100057
236.99	0.116039	0.00935904
238.175	0.131971	0.0100109
239.366	0.121656	0.00956952
240.562	0.104299	0.00890276
241.765	0.139339	0.0102057
242.974	0.118055	0.0094133
244.189	0.127585	0.00977954
245.41	0.105341	0.00886426
246.637	0.132825	0.00992711
247.87	0.12565	0.00962266
249.109	0.118463	0.00936545
250.355	0.126559	0.00960074
251.607	0.119282	0.00930719
252.865	0.147507	0.0103625
254.129	0.17031	0.0111017
255.4	      0.191819	0.0117379
256.677	0.270952	0.0139322
257.96	0.42252	0.0173322
259.25	0.613542	0.0208764
260.546	0.747256	0.0229764
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2826.59	0.359603	0.0223443
2840.72	0.34773	0.0219907
2854.92	0.325226	0.0212645
2869.2	0.324665	0.0212902
2883.54	0.381903	0.0231536
2897.96	0.361088	0.0224538
2912.45	0.370118	0.0227237
2927.01	0.379581	0.023055
2941.65	0.391347	0.0234314
2956.36	0.373649	0.0229972
2971.14	0.390171	0.023505
2985.99	0.38224	0.0232655
3000.92	0.414907	0.0242969
3015.93	0.43861	0.0249874
3031.01	0.418154	0.0243524
3046.16	0.461592	0.0256433
3061.39	0.481602	0.0261784
3076.7	0.426325	0.0246595
3092.08	0.436495	0.0249477
3107.54	0.484059	0.0263365
3123.08	0.48329	0.0261611
3138.7	0.463875	0.0257675
3154.39	0.464902	0.0258068
3170.16	0.451365	0.0255472
3186.01	0.415376	0.0245022
3201.94	0.414972	0.0245276
3217.95	0.389538	0.0237597
3234.04	0.388323	0.0238031
3250.21	0.377041	0.023381
3266.47	0.377834	0.0234672
3282.8	0.343926	0.0225088
3299.21	0.363906	0.0231523
3315.71	0.38678	0.0238031
3332.29	0.382689	0.0237883
3348.95	0.37927	0.0237319
3365.69	0.370828	0.0233563
3382.52	0.332706	0.0222616
3399.43	0.357101	0.0230394
3416.43	0.365049	0.0233946
3433.51	0.350939	0.0228583
3450.68	0.393194	0.0241378
3467.93	0.384342	0.0240002
3485.27	0.398151	0.0244078
3502.7	0.343432	0.0227404
3520.21	0.354852	0.0231033
3537.81	0.360759	0.0233012
3555.5	0.304972	0.0214206
3573.28	0.344134	0.022858
3591.15	0.367105	0.0236666
3609.1	0.336559	0.022585
3627.15	0.331464	0.0224749
3645.28	0.341155	0.022922
3663.51	0.361236	0.023486
3681.83	0.335106	0.022636
3700.24	0.330488	0.0225694
3718.74	0.353964	0.0234339
3737.33	0.344527	0.0231623
3756.02	0.364416	0.0237819
3774.8	0.323736	0.0224232
3793.67	0.340037	0.0230229
3812.64	0.306938	0.0218818
3831.7	0.347819	0.0233587
3850.86	0.313423	0.0222298
3870.12	0.343345	0.0232266
3889.47	0.362963	0.0239951
3908.92	0.3434	0.0233807
3928.46	0.374694	0.0244903
3948.1	0.367236	0.0242162
3967.84	0.358205	0.023864
3987.68	0.377207	0.0246013
4007.62	0.391031	0.0251151
4025.19	0.349323	0.0272608