al.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.	3.11990	
10.1617	-9999.	3.05822	
10.3261	-9999.	2.99776	
10.4931	-9999.	2.93850	
10.6628	-9999.	2.88041	
10.8353	-9999.	2.82347	
11.0106	-9999.	2.76766	
11.1886	-9999.	2.72200	
11.3696	-9999.	2.69148	
11.5535	-9999.	2.66129	
11.7404	-9999.	2.63145	
11.9303	-9999.	2.60195	
12.1232	-9999.	2.57277	
12.3193	-9999.	2.54392	
12.5186	-9999.	2.51539	
12.7210	-9999.	2.46668	
12.9268	-9999.	2.41373	
13.1359	-9999.	2.36192	
13.3483	-9999.	2.30898	
13.5642	-9999.	2.23405	
13.7836	-9999.	2.15356	
14.0066	-9999.	2.06069	
14.2331	-9999.	1.96756	
14.4633	-9999.	1.81305	
14.6973	-9999.	1.35947	
14.9350	-9999.	0.902011	
15.1765	-9999.	0.609172	
15.4220	-9999.	0.439681	
15.6714	-9999.	0.372037	
15.9249	-9999.	0.326005	
16.1825	-9999.	0.285669	
16.4442	-9999.	0.247205	
16.7102	-9999.	0.213520	
16.9805	-9999.	0.196522	
17.2551	-9999.	0.181095	
17.5342	-9999.	0.168385	
17.8178	-9999.	0.160808	
18.1060	-9999.	0.153573	
18.3989	-9999.	0.146663	
18.6964	-9999.	0.140063	
18.9988	-9999.	0.133164	
19.3061	-9999.	0.126575	
19.6184	-9999.	0.120312	
19.9357	-9999.	0.114360	
20.2582	-9999.	0.109752	
20.5858	-9999.	0.111010	
20.9188	-9999.	0.112282	
21.2571	-9999.	0.113569	
21.6009	-9999.	0.114870	
21.9503	-9999.	0.116186	
22.3053	-9999.	0.117518	
22.6661	-9999.	0.118864	
23.0327	-9999.	0.120227	
23.4053	-9999.	0.122751	
23.7838	-9999.	0.126315	
24.1685	-9999.	0.129984	
24.5594	-9999.	0.133759	
24.9566	-9999.	0.137643	
25.3603	-9999.	0.141640	
25.7705	-9999.	0.145495	
26.1873	-9999.	0.148244	
26.6109	-9999.	0.151045	
27.0413	-9999.	0.153898	
27.4786	-9999.	0.156806	
27.9231	-9999.	0.159768	
28.3747	-9999.	0.162787	
28.8337	-9999.	0.165863	
29.3000	2.34285	0.168996	
29.7739	2.32717	0.172189	
30.2555	2.31139	0.175442	
30.7449	2.29552	0.178757	
31.2421	2.27956	0.182134	
31.7475	2.26350	0.185575	
32.2609	2.24754	0.189081	
32.7827	2.23175	0.192378	
33.3130	2.21555	0.194561	
33.8518	2.19843	0.196767	
34.3993	2.18068	0.198999	
34.9557	2.16235	0.201256	
35.5211	2.14342	0.203539	
36.0956	2.12388	0.205847	
36.6794	2.10371	0.208182	
37.2727	2.08287	0.210544	
37.8755	2.06135	0.212932	
38.4882	2.03911	0.215347	
39.1107	2.01612	0.217789	
39.7432	1.99237	0.220259	
40.3861	1.96797	0.222758	
41.0393	1.94295	0.225068	
41.7031	1.91682	0.226470	
42.3776	1.88912	0.227880	
43.0630	1.86007	0.229299	
43.7595	1.82966	0.230727	
44.4673	1.79787	0.232164	
45.1865	1.76466	0.233610	
45.9174	1.73005	0.235064	
46.6600	1.69399	0.236528	
47.4147	1.65814	0.238001	
48.1816	1.62074	0.235842	
48.9609	1.57843	0.232104	
49.7528	1.53229	0.228425	
50.5576	1.48252	0.224805	
51.3753	1.42904	0.221242	
52.2062	1.37159	0.217735	
53.0506	1.30972	0.214284	
53.9087	1.24315	0.211759	
54.7806	1.17229	0.209829	
55.6667	1.09675	0.207917	
56.5670	1.01559	0.206022	
57.4820	0.928103	0.204145	
58.4117	0.833427	0.202284	
59.3564	0.729805	0.200441	
60.3165	0.616720	0.200207	
61.2921	0.494009	0.200602	
62.2834	0.359171	0.200998	
63.2908	0.206766	0.201394	
64.3145	0.367838E-01	0.208215	
65.3547	-0.150100	0.215821	
66.4118	-0.363400	0.223705	
67.4859	-0.612251	0.231878	
68.5775	-0.913185	0.239512	
69.6867	-1.29772	0.247287	
70.8138	-1.83916	0.255315	
71.9591	-2.82640	0.263603	
72.6000	-4.71870	0.268298	
72.8000	-4.77865	3.05391	
73.1230	-3.57738	3.10106	
74.3057	-2.58986	3.27808	
75.5076	-2.24498	3.46521	
76.7289	-2.04974	3.66301	
77.9699	-1.91658	3.87212	
79.2310	-1.81173	4.09316	
80.5125	-1.71207	4.32681	
81.8147	-1.61278	4.55877	
83.1380	-1.51695	4.80227	
84.4827	-1.40821	5.05877	
85.8491	-1.24639	5.32897	
87.2377	-1.04412	5.54566	
88.6487	-0.869623	5.69070	
90.0825	-0.729715	5.83953	
91.5395	-0.602517	5.99225	
93.0201	-0.481649	6.14897	
94.5246	-0.363849	6.30978	
96.0535	-0.246485	6.47480	
97.6071	-0.127798	6.64413	
99.1858	-0.572152E-02	6.81790	
100.790	0.121587	6.99620	
102.420	0.257648	7.17918	
104.077	0.408417	7.36022	
105.760	0.563135	7.52866	
107.471	0.713525	7.70096	
109.209	0.869599	7.87720	
110.975	1.03257	8.05748	
112.770	1.20465	8.24188	
114.594	1.38785	8.43050	
116.448	1.58511	8.62344	
118.331	1.79993	8.82080	
120.245	2.03832	9.02267	
122.190	2.31105	9.22916	
124.166	2.65726	9.44037	
126.175	3.05450	9.49754	
128.215	3.37636	9.51114	
130.289	3.65455	9.52475	
132.397	3.91635	9.53840	
134.538	4.16654	9.55206	
136.714	4.40886	9.56573	
138.925	4.64594	9.57943	
141.172	4.87987	9.59315	
143.456	5.11258	9.60689	
145.776	5.34618	9.62064	
148.134	5.58438	9.63443	
150.530	5.83549	9.64822	
152.964	6.09089	9.62310	
155.439	6.32655	9.59689	
157.953	6.55613	9.57075	
160.507	6.78302	9.54468	
163.103	7.00948	9.51868	
165.742	7.23759	9.49275	
168.422	7.46980	9.46689	
171.146	7.70942	9.44111	
173.915	7.96219	9.41540	
176.727	8.24313	9.38975	
179.586	8.57964	9.31472	
182.491	8.88946	9.13115	
185.442	9.11623	8.95119	
188.442	9.32069	8.77477	
191.489	9.50496	8.60184	
194.587	9.67311	8.43231	
197.734	9.82798	8.26612	
200.932	9.97197	8.10317	
204.182	10.1053	7.93953	
207.485	10.2265	7.77920	
210.840	10.3376	7.62210	
214.251	10.4388	7.46817	
217.716	10.5299	7.31736	
221.237	10.6083	7.16959	
224.816	10.6680	7.03532	
228.452	10.7284	6.92993	
232.147	10.8042	6.82611	
235.902	10.8811	6.72384	
239.717	10.9592	6.62312	
243.595	11.0380	6.52389	
247.535	11.1176	6.42616	
251.538	11.1983	6.32988	
255.607	11.2808	6.23505	
259.741	11.3664	6.14164	
263.942	11.4630	6.04964	
268.211	11.5725	5.94856	
272.549	11.6747	5.80523	
276.957	11.7511	5.66535	
281.437	11.8159	5.52884	
285.989	11.8724	5.39563	
290.615	11.9222	5.26561	
295.315	11.9664	5.13874	
300.092	12.0058	5.01492	
304.945	12.0408	4.89409	
309.878	12.0718	4.77616	
314.890	12.0993	4.66108	
319.983	12.1235	4.54877	
325.158	12.1445	4.43917	
330.418	12.1625	4.33221	
335.762	12.1777	4.22782	
341.192	12.1900	4.12595	
346.711	12.1992	4.02654	
352.319	12.2049	3.92952	
358.017	12.2045	3.83484	
363.808	12.1998	3.75388	
369.692	12.2008	3.67818	
375.672	12.2048	3.60400	
381.748	12.2097	3.53133	
387.922	12.2152	3.46011	
394.197	12.2210	3.39034	
400.573	12.2270	3.32197	
407.052	12.2333	3.25498	
413.635	12.2399	3.18934	
420.326	12.2470	3.12502	
427.124	12.2549	3.06201	
434.032	12.2652	3.00026	
441.052	12.2773	2.93296	
448.186	12.2849	2.86424	
455.435	12.2892	2.79730	
462.802	12.2920	2.73189	
470.287	12.2937	2.66798	
477.894	12.2943	2.60559	
485.623	12.2945	2.54463	
493.478	12.2942	2.48490	
501.459	12.2939	2.42570	
509.570	12.2928	2.36643	
517.812	12.2896	2.30801	
526.187	12.2852	2.25125	
534.698	12.2801	2.19625	
543.346	12.2748	2.14277	
552.134	12.2700	2.09062	
561.065	12.2653	2.03805	
570.139	12.2592	1.98589	
579.361	12.2522	1.93406	
588.732	12.2437	1.88338	
598.254	12.2344	1.83389	
607.930	12.2243	1.78571	
617.763	12.2138	1.73879	
627.755	12.2034	1.69298	
637.908	12.1929	1.64704	
648.226	12.1814	1.60038	
658.711	12.1674	1.55377	
669.365	12.1491	1.50856	
680.191	12.1287	1.46882	
691.193	12.1108	1.43328	
702.372	12.0954	1.39941	
713.733	12.0820	1.36380	
725.277	12.0674	1.32737	
737.008	12.0514	1.29193	
748.928	12.0350	1.25742	
761.042	12.0181	1.22382	
773.351	12.0009	1.19100	
785.859	11.9834	1.15872	
798.570	11.9652	1.12705	
811.486	11.9463	1.09624	
824.611	11.9269	1.06625	
837.949	11.9070	1.03708	
851.502	11.8866	1.00870	
865.274	11.8656	0.981035	
879.269	11.8441	0.954065	
893.491	11.8220	0.927842	
907.943	11.7992	0.902346	
922.628	11.7759	0.877557	
937.551	11.7519	0.853321	
952.715	11.7270	0.829761	
968.124	11.7013	0.806859	
983.783	11.6747	0.784555	
999.695	11.6472	0.762967	
1015.86	11.6184	0.742081	
1032.29	11.5888	0.722661	
1048.99	11.5591	0.703173	
1065.96	11.5278	0.683588	
1083.20	11.4947	0.664537	
1100.72	11.4600	0.646018	
1118.52	11.4234	0.628015	
1136.61	11.3849	0.610519	
1155.	11.3440	0.593506	
1173.68	11.3007	0.576965	
1192.66	11.2544	0.560888	
1211.95	11.2049	0.545258	
1231.55	11.1516	0.530064	
1251.47	11.0938	0.515441	
1271.72	11.0310	0.501380	
1292.29	10.9622	0.487892	
1313.19	10.8865	0.474763	
1334.43	10.8021	0.461987	
1356.01	10.7069	0.449555	
1377.94	10.5980	0.437459	
1400.23	10.4713	0.425689	
1422.88	10.3206	0.414239	
1445.89	10.1361	0.403093	
1469.28	9.90068	0.392100	
1493.04	9.58044	0.381187	
1517.19	9.09216	0.369680	
1541.73	8.11537	0.358399	
1559.50	1.89396	0.350553	
1559.70	1.89589	4.16629	
1566.67	7.10441	4.14105	
1592.01	9.03572	4.05144	
1617.76	9.80337	3.96379	
1643.92	10.2995	3.87809	
1670.51	10.6690	3.79420	
1697.53	10.9642	3.71213	
1724.99	11.2121	3.63182	
1752.89	11.4254	3.54896	
1781.24	11.6086	3.46653	
1810.05	11.7695	3.38494	
1839.32	11.9117	3.30527	
1869.07	12.0391	3.22747	
1899.30	12.1540	3.15148	
1930.02	12.2583	3.07731	
1961.24	12.3536	3.00489	
1992.96	12.4408	2.93417	
2025.20	12.5226	2.86696	
2057.95	12.6001	2.79699	
2091.24	12.6695	2.72803	
2125.06	12.7334	2.66035	
2159.43	12.7923	2.59405	
2194.36	12.8467	2.52881	
2229.85	12.8969	2.46498	
2265.92	12.9433	2.40235	
2302.57	12.9861	2.34101	
2339.81	13.0257	2.28095	
2377.66	13.0622	2.22204	
2416.11	13.0960	2.16445	
2455.19	13.1272	2.10810	
2494.90	13.1560	2.05284	
2535.26	13.1825	1.99885	
2576.26	13.2068	1.94606	
2617.93	13.2292	1.89447	
2660.27	13.2498	1.84400	
2703.30	13.2687	1.79474	
2747.03	13.2859	1.74651	
2791.46	13.3016	1.69945	
2836.61	13.3159	1.65350	
2882.49	13.3288	1.60862	
2929.11	13.3405	1.56481	
2976.48	13.3510	1.52204	
3024.63	13.3604	1.48033	
3073.55	13.3688	1.43961	
3123.26	13.3762	1.39989	
3173.78	13.3827	1.36116	
3225.11	13.3883	1.32339	
3277.27	13.3932	1.28657	
3330.28	13.3973	1.25064	
3384.15	13.4007	1.21564	
3438.88	13.4034	1.18154	
3494.50	13.4055	1.14831	
3551.02	13.4070	1.11591	
3608.46	13.4080	1.08436	
3666.82	13.4085	1.05363	
3726.13	13.4085	1.02369	
3786.40	13.4081	0.994542	
3847.64	13.4072	0.966167	
3909.87	13.4060	0.938535	
3973.11	13.4044	0.911645	
4037.38	13.4025	0.885448	
4102.68	13.4003	0.859966	
4169.03	13.3978	0.835163	
4236.46	13.3950	0.811033	
4304.98	13.3920	0.787559	
4374.62	13.3888	0.764708	
4445.37	13.3853	0.742491	
4517.27	13.3817	0.720878	
4590.33	13.3779	0.699839	
4664.58	13.3739	0.679399	
4740.03	13.3698	0.659516	
4816.69	13.3656	0.640176	
4894.60	13.3612	0.621389	
4973.77	13.3568	0.603106	
5054.21	13.3522	0.585342	
5135.96	13.3476	0.568080	
5219.03	13.3429	0.551279	
5303.44	13.3381	0.534968	
5389.22	13.3332	0.519116	
5476.39	13.3284	0.503715	
5564.97	13.3235	0.488726	
5654.98	13.3185	0.474187	
5746.44	13.3135	0.460062	
5839.39	13.3086	0.446336	
5933.83	13.3036	0.433003	
6029.81	13.2986	0.420026	
6127.33	13.2936	0.407459	
6226.44	13.2886	0.395224	
6327.15	13.2836	0.383348	
6429.48	13.2786	0.371815	
6533.48	13.2737	0.360616	
6639.15	13.2687	0.349739	
6746.54	13.2638	0.339182	
6855.65	13.2590	0.328927	
6966.54	13.2541	0.318973	
7079.22	13.2493	0.309309	
7193.72	13.2446	0.299926	
7310.07	13.2398	0.290817	
7428.31	13.2352	0.281974	
7548.45	13.2305	0.273391	
7670.54	13.2259	0.265058	
7794.61	13.2214	0.256972	
7920.68	13.2169	0.249121	
8048.79	13.2124	0.241506	
8178.98	13.2081	0.234114	
8311.26	13.2037	0.226938	
8445.69	13.1994	0.219978	
8582.29	13.1952	0.213218	
8721.11	13.1910	0.206663	
8862.16	13.1869	0.200304	
9005.50	13.1829	0.194131	
9151.16	13.1789	0.188140	
9299.17	13.1749	0.182331	
9449.58	13.1711	0.176693	
9602.42	13.1672	0.171229	
9757.73	13.1635	0.165921	
9915.55	13.1598	0.160780	
10075.9	13.1561	0.155788	
10238.9	13.1526	0.150945	
10404.5	13.1490	0.146248	
10572.8	13.1456	0.141693	
10743.8	13.1422	0.137274	
10917.6	13.1388	0.132988	
11094.2	13.1355	0.128831	
11273.6	13.1323	0.124800	
11455.9	13.1291	0.120890	
11641.2	13.1260	0.117099	
11829.5	13.1229	0.113422	
12020.8	13.1199	0.109856	
12215.3	13.1170	0.106398	
12412.8	13.1141	0.103045	
12613.6	13.1112	0.997941E-01
12817.6	13.1084	0.966416E-01
13025.0	13.1057	0.935848E-01
13235.6	13.1030	0.906209E-01
13449.7	13.1004	0.877473E-01
13667.2	13.0978	0.849611E-01
13888.3	13.0953	0.822598E-01
14112.9	13.0928	0.796408E-01
14341.2	13.0903	0.771018E-01
14573.1	13.0880	0.746402E-01
14808.9	13.0856	0.722539E-01
15048.4	13.0833	0.699405E-01
15291.8	13.0811	0.676979E-01
15539.1	13.0789	0.655240E-01
15790.4	13.0768	0.634165E-01
16045.8	13.0746	0.613737E-01
16305.4	13.0726	0.593935E-01
16569.1	13.0706	0.574741E-01
16837.1	13.0686	0.556136E-01
17109.4	13.0667	0.538102E-01
17386.1	13.0648	0.520623E-01
17667.4	13.0629	0.503681E-01
17953.1	13.0611	0.487260E-01
18243.5	13.0593	0.471345E-01
18538.6	13.0576	0.455920E-01
18838.4	13.0559	0.440970E-01
19143.1	13.0542	0.426482E-01
19452.7	13.0526	0.412440E-01
19767.4	13.0510	0.398831E-01
20087.1	13.0494	0.385533E-01
20412.0	13.0479	0.372771E-01
20742.1	13.0464	0.360423E-01
21077.6	13.0449	0.348475E-01
21418.5	13.0435	0.336915E-01
21765.0	13.0421	0.325731E-01
22117.0	13.0407	0.314909E-01
22474.7	13.0394	0.304440E-01
22838.2	13.0381	0.294311E-01
23207.6	13.0368	0.284511E-01
23583.0	13.0356	0.275030E-01
23964.4	13.0343	0.265858E-01
24352.0	13.0331	0.256985E-01
24745.9	13.0320	0.248401E-01
25146.2	13.0308	0.240097E-01
25552.9	13.0297	0.232064E-01
25966.2	13.0287	0.224293E-01
26386.1	13.0276	0.216776E-01
26812.9	13.0266	0.209505E-01
27246.6	13.0256	0.202471E-01
27687.3	13.0246	0.195668E-01
28135.1	13.0236	0.189087E-01
28590.2	13.0227	0.182722E-01
29052.6	13.0218	0.176565E-01
29522.5	13.0209	0.170611E-01
30000.0	13.0198	0.164852E-01