ir.nff

利用matlab计算晶体结构的x射线衍射图谱

E(eV)	f1	f2
10.0000	-9999.	2.22753	
10.1617	-9999.	2.30683	
10.3261	-9999.	2.38895	
10.4931	-9999.	2.47400	
10.6628	-9999.	2.56207	
10.8353	-9999.	2.65417	
11.0106	-9999.	2.75003	
11.1886	-9999.	2.84935	
11.3696	-9999.	2.94781	
11.5535	-9999.	3.01180	
11.7404	-9999.	3.07717	
11.9303	-9999.	3.14397	
12.1232	-9999.	3.21221	
12.3193	-9999.	3.26205	
12.5186	-9999.	3.30439	
12.7210	-9999.	3.34729	
12.9268	-9999.	3.39074	
13.1359	-9999.	3.43476	
13.3483	-9999.	3.47696	
13.5642	-9999.	3.51962	
13.7836	-9999.	3.56281	
14.0066	-9999.	3.61496	
14.2331	-9999.	3.70069	
14.4633	-9999.	3.78846	
14.6973	-9999.	3.87831	
14.9350	-9999.	3.97029	
15.1765	-9999.	4.07172	
15.4220	-9999.	4.19560	
15.6714	-9999.	4.32325	
15.9249	-9999.	4.45478	
16.1825	-9999.	4.60711	
16.4442	-9999.	4.77331	
16.7102	-9999.	4.94550	
16.9805	-9999.	5.12391	
17.2551	-9999.	5.30875	
17.5342	-9999.	5.50602	
17.8178	-9999.	5.74269	
18.1060	-9999.	5.98954	
18.3989	-9999.	6.24699	
18.6964	-9999.	6.51552	
18.9988	-9999.	6.74800	
19.3061	-9999.	6.97561	
19.6184	-9999.	7.21091	
19.9357	-9999.	7.45414	
20.2582	-9999.	7.68496	
20.5858	-9999.	7.89057	
20.9188	-9999.	8.10168	
21.2571	-9999.	8.31844	
21.6009	-9999.	8.52534	
21.9503	-9999.	8.68506	
22.3053	-9999.	8.84777	
22.6661	-9999.	9.01353	
23.0327	-9999.	9.18240	
23.4053	-9999.	9.26201	
23.7838	-9999.	9.32872	
24.1685	-9999.	9.39591	
24.5594	-9999.	9.46360	
24.9566	-9999.	9.52948	
25.3603	-9999.	9.59091	
25.7705	-9999.	9.65272	
26.1873	-9999.	9.71494	
26.6109	-9999.	9.77755	
27.0413	-9999.	9.79801	
27.4786	-9999.	9.75976	
27.9231	-9999.	9.72165	
28.3747	-9999.	9.68369	
28.8337	-9999.	9.64587	
29.3000	6.72334	9.60821	
29.7739	6.99072	9.55265	
30.2555	7.24352	9.41385	
30.7449	7.45180	9.27707	
31.2421	7.64444	9.14228	
31.7475	7.84077	9.00945	
32.2609	8.06846	8.83057	
32.7827	8.23692	8.54247	
33.3130	8.30087	8.26376	
33.8518	8.29295	7.99415	
34.3993	8.20921	7.81682	
34.9557	8.16140	7.67421	
35.5211	8.10373	7.53419	
36.0956	8.01446	7.39673	
36.6794	7.87488	7.32637	
37.2727	7.77655	7.30348	
37.8755	7.69669	7.28067	
38.4882	7.61697	7.25791	
39.1107	7.52223	7.23524	
39.7432	7.40242	7.22018	
40.3861	7.28098	7.27384	
41.0393	7.18442	7.32791	
41.7031	7.09193	7.38238	
42.3776	6.99550	7.43725	
43.0630	6.88132	7.49253	
43.7595	6.74127	7.57126	
44.4673	6.60653	7.66543	
45.1865	6.45295	7.76077	
45.9174	6.25263	7.85729	
46.6600	5.97893	7.98694	
47.4147	5.48975	8.13775	
48.1816	4.66401	8.82385	
48.9609	4.55534	10.0722	
49.7528	5.15089	11.5471	
50.5576	6.13179	11.6384	
51.3753	6.66397	11.7304	
52.2062	7.05904	11.8232	
53.0506	7.38759	11.9167	
53.9087	7.67541	12.0109	
54.7806	7.93458	12.1059	
55.6667	8.17061	12.2016	
56.5670	8.38449	12.2980	
57.4820	8.57160	12.3953	
58.4117	8.71295	12.4933	
59.3564	8.75019	12.6564	
60.3165	8.84789	13.0205	
61.2921	9.03126	13.3950	
62.2834	9.23405	13.8208	
63.2908	9.58538	14.4146	
64.3145	10.1685	15.0340	
65.3547	11.0860	15.4537	
66.4118	11.9541	15.6977	
67.4859	13.0309	15.8904	
68.5775	14.0673	15.5224	
69.6867	14.9278	15.1628	
70.8138	15.8426	14.6264	
71.9591	16.4360	13.8968	
73.1230	16.8343	13.2036	
74.3057	17.1096	12.5450	
75.5076	17.2948	11.9467	
76.7289	17.4220	11.3800	
77.9699	17.4918	10.8402	
79.2310	17.5039	10.3259	
80.5125	17.4509	9.83611	
81.8147	17.2939	9.38831	
83.1380	17.1432	9.13335	
84.4827	17.0462	8.88532	
85.8491	16.9673	8.64404	
87.2377	16.8886	8.40929	
88.6487	16.8042	8.18092	
90.0825	16.7060	7.95875	
91.5395	16.5772	7.74263	
93.0201	16.4456	7.59762	
94.5246	16.3386	7.45957	
96.0535	16.2389	7.32402	
97.6071	16.1407	7.19093	
99.1858	16.0410	7.06026	
100.790	15.9382	6.93197	
102.420	15.8332	6.80446	
104.077	15.7165	6.66951	
105.760	15.5842	6.53724	
107.471	15.4346	6.40758	
109.209	15.2603	6.28051	
110.975	15.0366	6.18486	
112.770	14.8316	6.12755	
114.594	14.6295	6.07076	
116.448	14.4061	6.01451	
118.331	14.1093	5.99740	
120.245	13.8573	6.05809	
122.190	13.6358	6.11939	
124.166	13.4142	6.18130	
126.175	13.1651	6.24385	
128.215	12.9041	6.37948	
130.289	12.6851	6.54412	
132.397	12.4878	6.71301	
134.538	12.3018	6.88626	
136.714	12.1216	7.06398	
138.925	11.9399	7.24629	
141.172	11.7345	7.45043	
143.456	11.5582	7.70210	
145.776	11.4050	7.96227	
148.134	11.2679	8.23123	
150.530	11.1449	8.50927	
152.964	11.0376	8.79571	
155.439	10.9412	9.08733	
157.953	10.8554	9.38862	
160.507	10.7827	9.69990	
163.103	10.7248	10.0215	
165.742	10.6856	10.3538	
168.422	10.6978	10.6887	
171.146	10.7035	10.9707	
173.915	10.6900	11.2602	
176.727	10.6726	11.5573	
179.586	10.6520	11.8622	
182.491	10.6221	12.1752	
185.442	10.5812	12.5300	
188.442	10.5699	12.9193	
191.489	10.5947	13.3208	
194.587	10.6559	13.7199	
197.734	10.7189	14.1025	
200.932	10.7874	14.4957	
204.182	10.8674	14.8999	
207.485	10.9628	15.3154	
210.840	11.0766	15.7425	
214.251	11.2129	16.1815	
217.716	11.3904	16.6328	
221.237	11.6075	17.0582	
224.816	11.8192	17.4581	
228.452	12.0354	17.8674	
232.147	12.2671	18.2863	
235.902	12.5226	18.7150	
239.717	12.8111	19.1538	
243.595	13.1472	19.6029	
247.535	13.6293	19.9962	
251.538	14.0632	20.2299	
255.607	14.4124	20.4664	
259.741	14.7453	20.7057	
263.942	15.0683	20.9477	
268.211	15.3871	21.1925	
272.549	15.7120	21.4371	
276.957	16.0338	21.6732	
281.437	16.3522	21.9118	
285.989	16.6780	22.1530	
290.615	17.0212	22.3776	
295.315	17.3511	22.5766	
300.092	17.6603	22.7774	
304.945	17.9606	22.9800	
309.878	18.2496	23.1844	
314.890	18.5087	23.3906	
319.983	18.7731	23.6654	
325.158	19.0664	23.9509	
330.418	19.3837	24.2400	
335.762	19.7185	24.5325	
341.192	20.0713	24.8285	
346.711	20.4447	25.1281	
352.319	20.8441	25.4313	
358.017	21.2946	25.7382	
363.808	21.7691	25.9671	
369.692	22.2230	26.1695	
375.672	22.6578	26.3735	
381.748	23.0929	26.5790	
387.922	23.5321	26.7862	
394.197	23.9789	26.9950	
400.573	24.4367	27.2053	
407.052	24.9102	27.4174	
413.635	25.4067	27.6311	
420.326	25.9490	27.8464	
427.124	26.5448	27.9861	
434.032	27.1105	28.0449	
441.052	27.6193	28.1038	
448.186	28.1155	28.1628	
455.435	28.6025	28.2219	
462.802	29.0838	28.2811	
470.287	29.5622	28.3405	
477.894	30.0397	28.4000	
485.623	30.5183	28.4596	
493.478	30.9996	28.5193	
501.459	31.4855	28.5792	
509.570	31.9782	28.6392	
517.812	32.4801	28.6994	
526.187	32.9947	28.7596	
534.698	33.5267	28.8200	
543.346	34.0827	28.8805	
552.134	34.7042	28.9411	
561.065	35.3983	28.9457	
570.139	36.0692	28.7507	
579.361	36.6365	28.5570	
588.732	37.1613	28.3645	
598.254	37.6574	28.1734	
607.930	38.1314	27.9835	
617.763	38.5876	27.7950	
627.755	39.0286	27.6077	
637.908	39.4568	27.4217	
648.226	39.8737	27.2369	
658.711	40.2807	27.0534	
669.365	40.6791	26.8711	
680.191	41.0696	26.6900	
691.193	41.4534	26.5101	
702.372	41.8313	26.3315	
713.733	42.2041	26.1541	
725.277	42.5727	25.9778	
737.008	42.9380	25.8028	
748.928	43.3010	25.6289	
761.042	43.6627	25.4562	
773.351	44.0245	25.2847	
785.859	44.3881	25.1143	
798.570	44.7555	24.9451	
811.486	45.1300	24.7770	
824.611	45.5162	24.6100	
837.949	45.9217	24.4442	
851.502	46.3525	24.2795	
865.274	47.0374	24.1159	
879.269	47.7299	23.1760	
893.491	47.6502	22.8917	
907.943	47.8377	22.6104	
922.628	48.0699	22.3323	
937.551	48.3145	22.0307	
952.715	48.5452	21.7261	
968.124	48.7641	21.4195	
983.783	48.9726	21.1168	
999.695	49.1744	20.8156	
1015.86	49.3725	20.5158	
1032.29	49.5617	20.1959	
1048.99	49.7269	19.8775	
1065.96	49.8750	19.5605	
1083.20	50.0074	19.2482	
1100.72	50.1261	18.9404	
1118.52	50.2318	18.6372	
1136.61	50.3254	18.3388	
1155.	50.4077	18.0448	
1173.68	50.4785	17.7550	
1192.66	50.5384	17.4697	
1211.95	50.5880	17.1886	
1231.55	50.6283	16.9115	
1251.47	50.6593	16.6345	
1271.72	50.6793	16.3572	
1292.29	50.6826	16.0786	
1313.19	50.6692	15.8041	
1334.43	50.6405	15.5341	
1356.01	50.5968	15.2685	
1377.94	50.5379	15.0070	
1400.23	50.4632	14.7497	
1422.88	50.3721	14.4967	
1445.89	50.2644	14.2476	
1469.28	50.1392	14.0016	
1493.04	49.9948	13.7584	
1517.19	49.8288	13.5142	
1541.73	49.6354	13.2737	
1566.67	49.4148	13.0375	
1592.01	49.1647	12.8046	
1617.76	48.8815	12.5757	
1643.92	48.5614	12.3508	
1670.51	48.1997	12.1300	
1697.53	47.7910	11.9127	
1724.99	47.3275	11.6986	
1752.89	46.7982	11.4807	
1781.24	46.1826	11.2642	
1810.05	45.4617	11.0495	
1839.32	44.6082	10.8384	
1869.07	43.5809	10.6314	
1899.30	42.3152	10.4286	
1930.02	40.6977	10.2293	
1961.24	38.5034	10.0336	
1992.96	35.1665	9.84134	
2025.20	28.0964	9.65784	
2040.30	-0.661999	9.57403	
2040.50	-0.662121	27.3304	
2057.95	27.9204	27.0332	
2091.24	31.1926	26.4821	
2116.	12.3218	26.0849	
2116.20	12.3531	38.4468	
2125.06	30.7428	38.2183	
2159.43	39.3349	37.3539	
2194.36	43.4216	36.5093	
2229.85	46.2669	35.6836	
2265.92	48.4512	34.8774	
2302.57	50.1998	34.0887	
2339.81	51.6236	33.3195	
2377.66	52.7806	32.5676	
2416.11	53.6903	31.8326	
2455.19	54.3294	31.1154	
2494.90	54.5727	30.4148	
2535.26	53.6177	29.7302	
2550.60	46.3715	29.4768	
2550.80	46.3776	34.2272	
2576.26	55.3436	33.7198	
2617.93	57.5958	32.9158	
2660.27	59.0087	32.1309	
2703.30	60.0854	31.3671	
2747.03	60.9473	30.6217	
2791.46	61.6302	29.8949	
2836.61	62.1188	29.1861	
2882.49	62.2280	28.4950	
2908.60	59.4369	28.1138	
2908.80	59.4396	29.8860	
2929.11	62.6994	29.5896	
2976.48	63.9144	28.9171	
3024.63	64.6814	28.2609	
3073.55	65.2621	27.6210	
3123.26	65.6628	26.9958	
3173.60	64.2909	26.3869	
3173.80	64.2928	27.3502	
3225.11	66.7040	26.7731	
3277.27	67.3825	26.2048	
3330.28	67.9414	25.6446	
3384.15	68.4346	25.0927	
3438.88	68.8797	24.5489	
3494.50	69.2867	24.0139	
3551.02	69.6604	23.4860	
3608.46	70.0058	22.9681	
3666.82	70.3260	22.4579	
3726.13	70.6223	21.9572	
3786.40	70.8967	21.4634	
3847.64	71.1510	20.9795	
3909.87	71.3872	20.5046	
3973.11	71.6066	20.0382	
4037.38	71.8088	19.5793	
4102.68	71.9969	19.1308	
4169.03	72.1711	18.6892	
4236.46	72.3310	18.2562	
4304.98	72.4781	17.8316	
4374.62	72.6135	17.4155	
4445.37	72.7374	17.0075	
4517.27	72.8504	16.6077	
4590.33	72.9533	16.2161	
4664.58	73.0465	15.8322	
4740.03	73.1304	15.4564	
4816.69	73.2056	15.0885	
4894.60	73.2725	14.7282	
4973.77	73.3314	14.3754	
5054.21	73.3829	14.0303	
5135.96	73.4270	13.6926	
5219.03	73.4644	13.3622	
5303.44	73.4951	13.0389	
5389.22	73.5196	12.7228	
5476.39	73.5380	12.4137	
5564.97	73.5507	12.1116	
5654.98	73.5580	11.8162	
5746.44	73.5601	11.5274	
5839.39	73.5570	11.2452	
5933.83	73.5491	10.9694	
6029.81	73.5363	10.6999	
6127.33	73.5191	10.4367	
6226.44	73.4974	10.1796	
6327.15	73.4714	9.92852	
6429.48	73.4413	9.68345	
6533.48	73.4071	9.44395	
6639.15	73.3690	9.21018	
6746.54	73.3269	8.98196	
6855.65	73.2810	8.75918	
6966.54	73.2310	8.54146	
7079.22	73.1772	8.32915	
7193.72	73.1194	8.12195	
7310.07	73.0577	7.91989	
7428.31	72.9920	7.72256	
7548.45	72.9222	7.53009	
7670.54	72.8481	7.34241	
7794.61	72.7697	7.15912	
7920.68	72.6866	6.98032	
8048.79	72.5986	6.80599	
8178.98	72.5052	6.63582	
8311.26	72.4063	6.46999	
8445.69	72.3011	6.30817	
8582.29	72.1896	6.15055	
8721.11	72.0705	5.99655	
8862.16	71.9433	5.84659	
9005.50	71.8067	5.70018	
9151.16	71.6597	5.55755	
9299.17	71.5003	5.41839	
9449.58	71.3267	5.28280	
9602.42	71.1361	5.15050	
9757.73	70.9248	5.02171	
9915.55	70.6895	4.89611	
10075.9	70.4205	4.77048	
10238.9	70.1059	4.64835	
10404.5	69.7302	4.52961	
10572.8	69.2641	4.41418	
10743.8	68.6503	4.30200	
10917.6	67.7469	4.19296	
11094.2	65.9800	4.08700	
11215.1	51.9627	4.01691	
11215.3	51.9638	10.3030	
11273.6	64.6650	10.2052	
11455.9	67.5139	9.90830	
11641.2	68.5918	9.62008	
11829.5	69.1967	9.34025	
12020.8	69.5442	9.06856	
12215.3	69.6942	8.80476	
12412.8	69.6329	8.54866	
12613.6	69.2139	8.29999	
12817.6	65.8472	8.05857	
12824.0	61.5660	8.05120	
12824.2	61.5663	11.2792	
13025.0	69.5017	11.0047	
13235.6	70.2243	10.7282	
13418.4	67.7144	10.4973	
13418.6	67.7161	11.9016	
13449.7	70.0605	11.8614	
13667.2	71.4638	11.5862	
13888.3	72.1629	11.3157	
14112.9	72.6906	11.0499	
14341.2	73.1237	10.7889	
14573.1	73.4929	10.5326	
14808.9	73.8143	10.2810	
15048.4	74.0982	10.0342	
15291.8	74.3512	9.79217	
15539.1	74.5783	9.55482	
15790.4	74.7832	9.32215	
16045.8	74.9687	9.09416	
16305.4	75.1372	8.87080	
16569.1	75.2905	8.65203	
16837.1	75.4303	8.43782	
17109.4	75.5577	8.22812	
17386.1	75.6740	8.02289	
17667.4	75.7802	7.82207	
17953.1	75.8771	7.62561	
18243.5	75.9654	7.43346	
18538.6	76.0459	7.24557	
18838.4	76.1192	7.06186	
19143.1	76.1858	6.88229	
19452.7	76.2462	6.70679	
19767.4	76.3008	6.53530	
20087.1	76.3500	6.36775	
20412.0	76.3943	6.20408	
20742.1	76.4339	6.04423	
21077.6	76.4692	5.88813	
21418.5	76.5005	5.73571	
21765.0	76.5280	5.58691	
22117.0	76.5519	5.44167	
22474.7	76.5726	5.29991	
22838.2	76.5902	5.16156	
23207.6	76.6049	5.02658	
23583.0	76.6170	4.89487	
23964.4	76.6265	4.76639	
24352.0	76.6337	4.64107	
24745.9	76.6386	4.51884	
25146.2	76.6415	4.39963	
25552.9	76.6425	4.28340	
25966.2	76.6417	4.17006	
26386.1	76.6391	4.05956	
26812.9	76.6350	3.95184	
27246.6	76.6295	3.84683	
27687.3	76.6226	3.74448	
28135.1	76.6144	3.64473	
28590.2	76.6051	3.54751	
29052.6	76.5953	3.45278	
29522.5	76.5935	3.36047	
30000.0	76.5426	3.27053