i.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.	7.81670	
10.1617	-9999.	7.56781	
10.3261	-9999.	7.32685	
10.4931	-9999.	7.08081	
10.6628	-9999.	6.83320	
10.8353	-9999.	6.78435	
11.0106	-9999.	6.80888	
11.1886	-9999.	7.27334	
11.3696	-9999.	7.86775	
11.5535	-9999.	8.52786	
11.7404	-9999.	9.24335	
11.9303	-9999.	10.0092	
12.1232	-9999.	10.7896	
12.3193	-9999.	11.0623	
12.5186	-9999.	11.3418	
12.7210	-9999.	11.4253	
12.9268	-9999.	11.3727	
13.1359	-9999.	11.3203	
13.3483	-9999.	11.2681	
13.5642	-9999.	11.2095	
13.7836	-9999.	11.1155	
14.0066	-9999.	11.0223	
14.2331	-9999.	10.9300	
14.4633	-9999.	10.8383	
14.6973	-9999.	10.7475	
14.9350	-9999.	10.6574	
15.1765	-9999.	10.4573	
15.4220	-9999.	10.1905	
15.6714	-9999.	9.93056	
15.9249	-9999.	9.67721	
16.1825	-9999.	9.43034	
16.4442	-9999.	9.18976	
16.7102	-9999.	8.95532	
16.9805	-9999.	8.72686	
17.2551	-9999.	8.50423	
17.5342	-9999.	8.28728	
17.8178	-9999.	8.07586	
18.1060	-9999.	7.86984	
18.3989	-9999.	7.66907	
18.6964	-9999.	7.42175	
18.9988	-9999.	7.14799	
19.3061	-9999.	6.88433	
19.6184	-9999.	6.63039	
19.9357	-9999.	6.38583	
20.2582	-9999.	6.15028	
20.5858	-9999.	5.92343	
20.9188	-9999.	5.70494	
21.2571	-9999.	5.49451	
21.6009	-9999.	5.29184	
21.9503	-9999.	5.09665	
22.3053	-9999.	4.90865	
22.6661	-9999.	4.68919	
23.0327	-9999.	4.44107	
23.4053	-9999.	4.20609	
23.7838	-9999.	3.98353	
24.1685	-9999.	3.77276	
24.5594	-9999.	3.57313	
24.9566	-9999.	3.38407	
25.3603	-9999.	3.20501	
25.7705	-9999.	3.03543	
26.1873	-9999.	2.87482	
26.6109	-9999.	2.72270	
27.0413	-9999.	2.57864	
27.4786	-9999.	2.44220	
27.9231	-9999.	2.31298	
28.3747	-9999.	2.19332	
28.8337	-9999.	2.08206	
29.3000	8.60390	1.97645	
29.7739	8.48945	1.87619	
30.2555	8.37226	1.78101	
30.7449	8.25130	1.69067	
31.2421	8.12476	1.60815	
31.7475	7.99986	1.53269	
32.2609	7.87412	1.46076	
32.7827	7.74628	1.39221	
33.3130	7.61584	1.32688	
33.8518	7.48238	1.26462	
34.3993	7.34562	1.20527	
34.9557	7.20568	1.14784	
35.5211	7.05951	1.09115	
36.0956	6.90638	1.03727	
36.6794	6.74544	0.986041	
37.2727	6.57312	0.937347	
37.8755	6.38740	0.903753	
38.4882	6.20463	0.877899	
39.1107	6.01751	0.852786	
39.7432	5.81973	0.828390	
40.3861	5.60378	0.804693	
41.0393	5.37609	0.806253	
41.7031	5.14580	0.810089	
42.3776	4.90062	0.813942	
43.0630	4.62757	0.823425	
43.7595	4.33466	0.847795	
44.4673	4.00705	0.872888	
45.1865	3.60324	0.902866	
45.9174	3.07850	0.977345	
46.6600	2.35422	1.31670	
47.4147	1.73260	2.00134	
48.1816	1.27760	3.04198	
48.9609	1.29574	4.62369	
49.7528	3.17649	7.02792	
50.5576	5.89873	4.83265	
51.3753	5.93686	2.81967	
52.2062	4.95233	1.64518	
53.0506	3.76698	1.34657	
53.9087	2.97006	1.36268	
54.7806	2.13977	1.43819	
55.6667	1.44322	1.93061	
56.5670	1.19607	2.59163	
57.4820	1.23617	2.49683	
58.4117	0.800734	2.24931	
59.3564	-0.147580	2.19230	
60.3165	-0.995416	2.58873	
61.2921	-1.73890	3.05686	
62.2834	-2.46034	3.60962	
63.2908	-3.16539	4.26232	
64.3145	-3.82932	5.03308	
65.3547	-4.40672	5.87252	
66.4118	-4.98989	6.78790	
67.4859	-5.54052	7.84598	
68.5775	-5.99773	9.06897	
69.6867	-6.26717	10.4826	
70.8138	-6.04553	11.8131	
71.9591	-5.98907	12.8675	
73.1230	-5.96129	14.0160	
74.3057	-5.86799	15.2670	
75.5076	-5.61508	16.5375	
76.7289	-5.34793	17.8058	
77.9699	-4.99390	19.1713	
79.2310	-4.47498	20.6415	
80.5125	-3.59753	22.2245	
81.8147	-2.56194	23.2596	
83.1380	-1.62484	24.3108	
84.4827	-0.675598	25.4095	
85.8491	0.421517	26.5578	
87.2377	1.71087	27.5394	
88.6487	2.98865	28.4517	
90.0825	4.35036	29.3941	
91.5395	5.98692	30.3677	
93.0201	7.74100	30.8583	
94.5246	9.44366	31.3227	
96.0535	11.3136	31.7941	
97.6071	13.2351	31.8194	
99.1858	15.0560	31.7940	
100.790	17.0547	31.7686	
102.420	18.9728	31.0869	
104.077	20.6491	30.4158	
105.760	22.2140	29.7593	
107.471	23.8175	29.1169	
109.209	25.7738	28.4884	
110.975	27.8087	26.8173	
112.770	29.0270	24.8686	
114.594	29.8169	23.0614	
116.448	30.3470	21.3857	
118.331	30.6920	19.8317	
120.245	30.8990	18.3906	
122.190	30.9995	17.0543	
124.166	31.0194	15.8151	
126.175	30.9796	14.6658	
128.215	30.9057	13.6001	
130.289	30.8581	12.5697	
132.397	30.6890	11.4908	
134.538	30.4278	10.5045	
136.714	30.1107	9.60285	
138.925	29.7580	8.77859	
141.172	29.3817	8.02511	
143.456	28.9896	7.33627	
145.776	28.5894	6.70659	
148.134	28.1879	6.13095	
150.530	27.7972	5.60470	
152.964	27.4579	5.12362	
155.439	27.0954	4.50919	
157.953	26.6200	3.93609	
160.507	26.0686	3.43468	
163.103	25.4568	2.99581	
165.742	24.7464	2.71715	
168.422	24.1357	2.57603	
171.146	23.5918	2.48845	
173.915	23.1039	2.42940	
176.727	22.6237	2.38967	
179.586	22.1910	2.39376	
182.491	21.7807	2.39786	
185.442	21.3868	2.44337	
188.442	21.0176	2.50095	
191.489	20.6681	2.59423	
194.587	20.3584	2.70521	
197.734	20.0769	2.82093	
200.932	19.8169	2.94182	
204.182	19.5761	3.06831	
207.485	19.3522	3.20023	
210.840	19.1441	3.33783	
214.251	18.9508	3.48134	
217.716	18.7722	3.63102	
221.237	18.6083	3.78714	
224.816	18.4606	3.94997	
228.452	18.3375	4.11247	
232.147	18.2198	4.26871	
235.902	18.1080	4.43088	
239.717	18.0073	4.59922	
243.595	17.9190	4.77395	
247.535	17.8453	4.95531	
251.538	17.7897	5.14357	
255.607	17.7647	5.33898	
259.741	17.7640	5.49854	
263.942	17.7565	5.64678	
268.211	17.7464	5.79902	
272.549	17.7440	5.95538	
276.957	17.7528	6.11594	
281.437	17.7777	6.28084	
285.989	17.8472	6.45017	
290.615	17.9205	6.55562	
295.315	17.9794	6.66107	
300.092	18.0464	6.76823	
304.945	18.1297	6.84572	
309.878	18.1940	6.90162	
314.890	18.2423	6.95797	
319.983	18.2860	7.01478	
325.158	18.3282	7.07206	
330.418	18.3717	7.12981	
335.762	18.4219	7.18802	
341.192	18.5004	7.23740	
346.711	18.5575	7.23201	
352.319	18.5910	7.22663	
358.017	18.6087	7.22125	
363.808	18.6154	7.21587	
369.692	18.6124	7.21050	
375.672	18.6009	7.20513	
381.748	18.5816	7.19977	
387.922	18.5557	7.19441	
394.197	18.5253	7.18905	
400.573	18.5011	7.18158	
407.052	18.4584	7.13971	
413.635	18.3921	7.09809	
420.326	18.3053	7.05671	
427.124	18.2007	7.01558	
434.032	18.0782	6.97468	
441.052	17.9373	6.93402	
448.186	17.7774	6.89360	
455.435	17.5976	6.85341	
462.802	17.4026	6.81346	
470.287	17.1876	6.75741	
477.894	16.9291	6.68752	
485.623	16.6273	6.61836	
493.478	16.2811	6.54990	
501.459	15.8858	6.48216	
509.570	15.4349	6.41513	
517.812	14.9191	6.34833	
526.187	14.3260	6.28195	
534.698	13.6396	6.21627	
543.346	12.8378	6.15128	
552.134	11.8894	6.08696	
561.065	10.7484	6.02332	
570.139	9.34070	5.96034	
579.361	7.55512	5.91282	
588.732	5.18532	5.87023	
598.254	1.76651	5.82814	
607.930	-4.05496	5.78634	
617.763	-21.9139	5.74484	
619.900	-56.4870	5.73595	
620.100	-56.4286	41.0545	
627.755	-6.49421	40.1753	
637.908	3.68249	39.0540	
648.226	9.30876	37.9640	
658.711	13.1979	36.9043	
669.365	16.0906	35.8732	
680.191	18.3507	34.9667	
691.193	20.2378	34.1577	
702.372	21.8610	33.3985	
713.733	23.2741	32.6604	
725.277	24.5079	31.9415	
737.008	25.5853	31.2364	
748.928	26.5221	30.5481	
761.042	27.3222	29.8770	
773.351	27.9945	29.2340	
785.859	28.5448	28.6540	
798.570	29.0214	28.1256	
811.486	29.4208	27.6085	
824.611	29.7105	27.0998	
837.949	29.6802	26.5996	
851.502	29.5116	26.4824	
865.274	29.2739	26.7842	
879.269	29.3738	27.4750	
893.491	29.8774	28.1846	
907.943	30.6169	28.9130	
922.628	32.0426	29.6607	
937.551	33.5319	29.5134	
952.715	34.7961	29.1400	
968.124	35.8226	28.5769	
983.783	36.6192	28.0236	
999.695	37.3058	27.4875	
1015.86	37.8835	26.9684	
1032.29	38.4062	26.5169	
1048.99	38.8978	26.0924	
1065.96	39.3726	25.6951	
1083.20	39.8370	25.3041	
1100.72	40.2830	24.9191	
1118.52	40.7121	24.5398	
1136.61	41.1257	24.1663	
1155.	41.5258	23.7984	
1173.68	41.9141	23.4360	
1192.66	42.2934	23.0794	
1211.95	42.6661	22.7281	
1231.55	43.0512	22.3822	
1251.47	43.4350	22.0112	
1271.72	43.8164	21.6137	
1292.29	44.1595	21.1837	
1313.19	44.4581	20.7624	
1334.43	44.7336	20.3494	
1356.01	44.9897	19.9446	
1377.94	45.2288	19.5476	
1400.23	45.4530	19.1587	
1422.88	45.6641	18.7776	
1445.89	45.8646	18.4040	
1469.28	46.0551	18.0362	
1493.04	46.2392	17.6733	
1517.19	46.4111	17.3080	
1541.73	46.5673	16.9489	
1566.67	46.7120	16.5972	
1592.01	46.8464	16.2527	
1617.76	46.9717	15.9154	
1643.92	47.0888	15.5853	
1670.51	47.1984	15.2617	
1697.53	47.3012	14.9449	
1724.99	47.3994	14.6348	
1752.89	47.4913	14.3258	
1781.24	47.5752	14.0217	
1810.05	47.6509	13.7229	
1839.32	47.7196	13.4301	
1869.07	47.7816	13.1435	
1899.30	47.8377	12.8632	
1930.02	47.8886	12.5888	
1961.24	47.9346	12.3204	
1992.96	47.9745	12.0579	
2025.20	48.0140	11.8050	
2057.95	48.0509	11.5499	
2091.24	48.0815	11.2994	
2125.06	48.1068	11.0536	
2159.43	48.1277	10.8127	
2194.36	48.1444	10.5763	
2229.85	48.1569	10.3440	
2265.92	48.1650	10.1165	
2302.57	48.1694	9.89337	
2339.81	48.1699	9.67430	
2377.66	48.1667	9.45950	
2416.11	48.1596	9.24862	
2455.19	48.1488	9.04206	
2494.90	48.1342	8.83919	
2535.26	48.1161	8.64043	
2576.26	48.0943	8.44526	
2617.93	48.0688	8.25386	
2660.27	48.0393	8.06607	
2703.30	48.0062	7.88234	
2747.03	47.9695	7.70179	
2791.46	47.9288	7.52474	
2836.61	47.8842	7.35110	
2882.49	47.8354	7.18070	
2929.11	47.7823	7.01362	
2976.48	47.7248	6.84971	
3024.63	47.6626	6.68903	
3073.55	47.5956	6.53139	
3123.26	47.5234	6.37671	
3173.78	47.4457	6.22507	
3225.11	47.3622	6.07632	
3277.27	47.2723	5.93040	
3330.28	47.1756	5.78727	
3384.15	47.0715	5.64690	
3438.88	46.9592	5.50920	
3494.50	46.8379	5.37413	
3551.02	46.7065	5.24167	
3608.46	46.5638	5.11168	
3666.82	46.4082	4.98418	
3726.13	46.2379	4.85918	
3786.40	46.0506	4.73645	
3847.64	45.8431	4.61609	
3909.87	45.6118	4.49810	
3973.11	45.3515	4.38229	
4037.38	45.0551	4.26868	
4102.68	44.7128	4.15724	
4169.03	44.3099	4.04789	
4236.46	43.8230	3.94061	
4304.98	43.2119	3.83546	
4374.62	42.3967	3.73217	
4445.37	41.1771	3.63082	
4517.27	38.7032	3.53148	
4557.	24.5846	3.47842	
4557.20	24.5863	10.8948	
4590.33	38.2162	10.7676	
4664.58	40.7492	10.4912	
4740.03	41.5098	10.2219	
4816.69	41.1320	9.95960	
4852.	34.8390	9.84242	
4852.20	34.8434	13.4276	
4894.60	41.9824	13.2369	
4973.77	43.6261	12.8921	
5054.21	44.4398	12.5565	
5135.96	44.7661	12.2295	
5188.	41.4945	12.0285	
5188.20	41.4989	13.9623	
5219.03	45.0657	13.8381	
5303.44	46.4440	13.5072	
5389.22	47.2785	13.1822	
5476.39	47.9296	12.8636	
5564.97	48.4736	12.5511	
5654.98	48.9426	12.2445	
5746.44	49.3542	11.9440	
5839.39	49.7198	11.6495	
5933.83	50.0472	11.3610	
6029.81	50.3423	11.0785	
6127.33	50.6095	10.8017	
6226.44	50.8520	10.5308	
6327.15	51.0729	10.2657	
6429.48	51.2745	10.0063	
6533.48	51.4587	9.75257	
6639.15	51.6272	9.50438	
6746.54	51.7814	9.26173	
6855.65	51.9226	9.02454	
6966.54	52.0520	8.79265	
7079.22	52.1703	8.56596	
7193.72	52.2786	8.34462	
7310.07	52.3776	8.12824	
7428.31	52.4679	7.91697	
7548.45	52.5502	7.71078	
7670.54	52.6253	7.50938	
7794.61	52.6935	7.31274	
7920.68	52.7553	7.12084	
8048.79	52.8112	6.93336	
8178.98	52.8613	6.75046	
8311.26	52.9063	6.57225	
8445.69	52.9468	6.39830	
8582.29	52.9826	6.22836	
8721.11	53.0140	6.06286	
8862.16	53.0416	5.90149	
9005.50	53.0657	5.74410	
9151.16	53.0862	5.59036	
9299.17	53.1034	5.44083	
9449.58	53.1177	5.29493	
9602.42	53.1292	5.15276	
9757.73	53.1381	5.01412	
9915.55	53.1444	4.87897	
10075.9	53.1484	4.74737	
10238.9	53.1502	4.61915	
10404.5	53.1501	4.49423	
10572.8	53.1481	4.37252	
10743.8	53.1443	4.25397	
10917.6	53.1389	4.13850	
11094.2	53.1319	4.02603	
11273.6	53.1235	3.91650	
11455.9	53.1138	3.80983	
11641.2	53.1028	3.70596	
11829.5	53.0907	3.60482	
12020.8	53.0775	3.50635	
12215.3	53.0633	3.41047	
12412.8	53.0481	3.31714	
12613.6	53.0321	3.22627	
12817.6	53.0152	3.13782	
13025.0	52.9976	3.05172	
13235.6	52.9792	2.96792	
13449.7	52.9602	2.88636	
13667.2	52.9406	2.80698	
13888.3	52.9204	2.72972	
14112.9	52.8997	2.65454	
14341.2	52.8785	2.58138	
14573.1	52.8568	2.51018	
14808.9	52.8346	2.44090	
15048.4	52.8121	2.37349	
15291.8	52.7892	2.30791	
15539.1	52.7658	2.24409	
15790.4	52.7422	2.18200	
16045.8	52.7182	2.12160	
16305.4	52.6939	2.06283	
16569.1	52.6692	2.00566	
16837.1	52.6443	1.95003	
17109.4	52.6191	1.89593	
17386.1	52.5935	1.84329	
17667.4	52.5677	1.79209	
17953.1	52.5416	1.74228	
18243.5	52.5151	1.69383	
18538.6	52.4884	1.64670	
18838.4	52.4613	1.60086	
19143.1	52.4338	1.55626	
19452.7	52.4060	1.51289	
19767.4	52.3778	1.47070	
20087.1	52.3492	1.42967	
20412.0	52.3201	1.38975	
20742.1	52.2905	1.35093	
21077.6	52.2604	1.31317	
21418.5	52.2297	1.27645	
21765.0	52.1983	1.24073	
22117.0	52.1662	1.20598	
22474.7	52.1334	1.17219	
22838.2	52.0996	1.13932	
23207.6	52.0648	1.10735	
23583.0	52.0289	1.07626	
23964.4	51.9917	1.04602	
24352.0	51.9531	1.01660	
24745.9	51.9129	0.987992	
25146.2	51.8708	0.960164	
25552.9	51.8266	0.933098	
25966.2	51.7799	0.906772	
26386.1	51.7304	0.881165	
26812.9	51.6775	0.856258	
27246.6	51.6205	0.832031	
27687.3	51.5588	0.808466	
28135.1	51.4913	0.785544	
28590.2	51.4167	0.763247	
29052.6	51.3331	0.741559	
29522.5	51.2379	0.720461	
30000.0	51.1274	0.699939