s.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.	4.05213	
10.1617	-9999.	4.23511	
10.3261	-9999.	4.42637	
10.4931	-9999.	4.62625	
10.6628	-9999.	4.83517	
10.8353	-9999.	5.05351	
11.0106	-9999.	5.28172	
11.1886	-9999.	5.52024	
11.3696	-9999.	5.79892	
11.5535	-9999.	6.15554	
11.7404	-9999.	6.53409	
11.9303	-9999.	6.93593	
12.1232	-9999.	7.22812	
12.3193	-9999.	7.48421	
12.5186	-9999.	7.74937	
12.7210	-9999.	8.02394	
12.9268	-9999.	8.17420	
13.1359	-9999.	8.32106	
13.3483	-9999.	8.47056	
13.5642	-9999.	8.62275	
13.7836	-9999.	8.77767	
14.0066	-9999.	8.93538	
14.2331	-9999.	9.09591	
14.4633	-9999.	9.21163	
14.6973	-9999.	9.25783	
14.9350	-9999.	9.30427	
15.1765	-9999.	9.35094	
15.4220	-9999.	9.39784	
15.6714	-9999.	9.44462	
15.9249	-9999.	9.49048	
16.1825	-9999.	9.53657	
16.4442	-9999.	9.58288	
16.7102	-9999.	9.62942	
16.9805	-9999.	9.50147	
17.2551	-9999.	9.35391	
17.5342	-9999.	9.20865	
17.8178	-9999.	9.06563	
18.1060	-9999.	8.92484	
18.3989	-9999.	8.78624	
18.6964	-9999.	8.64978	
18.9988	-9999.	8.48051	
19.3061	-9999.	8.31413	
19.6184	-9999.	8.15102	
19.9357	-9999.	7.99112	
20.2582	-9999.	7.75370	
20.5858	-9999.	7.52228	
20.9188	-9999.	7.29778	
21.2571	-9999.	7.07996	
21.6009	-9999.	6.86866	
21.9503	-9999.	6.66366	
22.3053	-9999.	6.46478	
22.6661	-9999.	6.27183	
23.0327	-9999.	5.98866	
23.4053	-9999.	5.71188	
23.7838	-9999.	5.44790	
24.1685	-9999.	5.19886	
24.5594	-9999.	5.01355	
24.9566	-9999.	4.83485	
25.3603	-9999.	4.66253	
25.7705	-9999.	4.40278	
26.1873	-9999.	4.13630	
26.6109	-9999.	3.88165	
27.0413	-9999.	3.60480	
27.4786	-9999.	3.34769	
27.9231	-9999.	3.10893	
28.3747	-9999.	2.85215	
28.8337	-9999.	2.60780	
29.3000	8.51351	2.38439	
29.7739	8.44725	2.09574	
30.2555	8.29906	1.83145	
30.7449	8.13067	1.66396	
31.2421	7.98940	1.51922	
31.7475	7.85582	1.38707	
32.2609	7.72619	1.26987	
32.7827	7.60201	1.16348	
33.3130	7.48047	1.06627	
33.8518	7.36315	0.981115	
34.3993	7.25066	0.902758	
34.9557	7.14165	0.830572	
35.5211	7.03504	0.763654	
36.0956	6.92984	0.702128	
36.6794	6.82470	0.647333	
37.2727	6.72385	0.599198	
37.8755	6.62556	0.554642	
38.4882	6.52782	0.514725	
39.1107	6.43270	0.478994	
39.7432	6.33771	0.445743	
40.3861	6.24212	0.418298	
41.0393	6.14581	0.393527	
41.7031	6.04020	0.380101	
42.3776	5.94784	0.378917	
43.0630	5.86050	0.377737	
43.7595	5.76832	0.384183	
44.4673	5.68774	0.401995	
45.1865	5.61473	0.420633	
45.9174	5.54671	0.440135	
46.6600	5.48225	0.460541	
47.4147	5.42013	0.481893	
48.1816	5.35746	0.504235	
48.9609	5.29561	0.538194	
49.7528	5.24242	0.576927	
50.5576	5.19491	0.622344	
51.3753	5.17182	0.669662	
52.2062	5.14872	0.696659	
53.0506	5.12362	0.724745	
53.9087	5.10178	0.752298	
54.7806	5.07915	0.775832	
55.6667	5.05564	0.800102	
56.5670	5.03138	0.826360	
57.4820	5.01164	0.858063	
58.4117	5.00074	0.890982	
59.3564	4.99665	0.910304	
60.3165	4.98520	0.925492	
61.2921	4.96711	0.943357	
62.2834	4.95248	0.967418	
63.2908	4.94227	0.992091	
64.3145	4.93805	1.01502	
65.3547	4.93294	1.03213	
66.4118	4.92760	1.04954	
67.4859	4.92457	1.06724	
68.5775	4.92255	1.07944	
69.6867	4.91853	1.09081	
70.8138	4.91463	1.10230	
71.9591	4.91341	1.11391	
73.1230	4.91433	1.11708	
74.3057	4.90801	1.11624	
75.5076	4.89540	1.11682	
76.7289	4.88296	1.12301	
77.9699	4.87191	1.12923	
79.2310	4.86320	1.13470	
80.5125	4.85318	1.13629	
81.8147	4.84143	1.13659	
83.1380	4.82715	1.13612	
84.4827	4.81086	1.13564	
85.8491	4.79301	1.13515	
87.2377	4.77379	1.13467	
88.6487	4.75353	1.13375	
90.0825	4.73147	1.13231	
91.5395	4.70840	1.13018	
93.0201	4.68254	1.12687	
94.5246	4.65429	1.12357	
96.0535	4.62388	1.12027	
97.6071	4.59160	1.11697	
99.1858	4.55828	1.11367	
100.790	4.52523	1.10632	
102.420	4.48460	1.09492	
104.077	4.43814	1.08385	
105.760	4.38622	1.07289	
107.471	4.32764	1.06302	
109.209	4.26493	1.05583	
110.975	4.19746	1.05069	
112.770	4.12808	1.04662	
114.594	4.05442	1.04175	
116.448	3.97530	1.03485	
118.331	3.88873	1.02741	
120.245	3.79426	1.01996	
122.190	3.69141	1.01259	
124.166	3.57932	1.00529	
126.175	3.45687	0.998037	
128.215	3.32271	0.990826	
130.289	3.17524	0.983650	
132.397	3.01263	0.976453	
134.538	2.83201	0.968314	
136.714	2.62925	0.959853	
138.925	2.40036	0.951466	
141.172	2.13977	0.943150	
143.456	1.83971	0.934907	
145.776	1.48907	0.926742	
148.134	1.07131	0.919198	
150.530	0.561128	0.912640	
152.964	-0.843296E-01	0.907303	
155.439	-0.950596	0.901995	
157.953	-2.24181	0.896719	
160.507	-4.70752	0.891477	
162.400	-13.8158	0.887668	
162.600	-13.8089	10.5007	
163.103	-8.29501	10.4970	
165.742	-3.08659	10.4779	
168.422	-1.18127	10.4589	
171.146	0.371599E-01	10.4399	
173.915	0.947915	10.4209	
176.727	1.68407	10.4020	
179.586	2.30886	10.3831	
182.491	2.86291	10.3618	
185.442	3.35538	10.3284	
188.442	3.80080	10.2927	
191.489	4.21172	10.2520	
194.587	4.58576	10.1994	
197.734	4.92845	10.1435	
200.932	5.23991	10.0848	
204.182	5.52406	10.0264	
207.485	5.78106	9.96826	
210.840	5.99942	9.91052	
214.251	6.20343	9.90441	
217.716	6.40874	9.90935	
221.237	6.62506	9.92307	
224.816	6.84443	9.93675	
228.452	7.06465	9.95050	
232.147	7.28532	9.96431	
235.902	7.50644	9.97806	
239.717	7.72837	9.99183	
243.595	7.95161	10.0056	
247.535	8.17701	10.0195	
251.538	8.40565	10.0334	
255.607	8.63866	10.0472	
259.741	8.87785	10.0611	
263.942	9.12600	10.0750	
268.211	9.38764	10.0889	
272.549	9.67488	10.1029	
276.957	10.0210	10.0678	
281.437	10.3391	9.97128	
285.989	10.6154	9.83735	
290.615	10.8603	9.69980	
295.315	11.0810	9.56415	
300.092	11.2862	9.43052	
304.945	11.4789	9.29874	
309.878	11.6610	9.16871	
314.890	11.8338	9.04043	
319.983	11.9985	8.91401	
325.158	12.1563	8.78950	
330.418	12.3078	8.66660	
335.762	12.4535	8.54541	
341.192	12.5942	8.42596	
346.711	12.7303	8.30812	
352.319	12.8624	8.19192	
358.017	12.9910	8.07738	
363.808	13.1167	7.96445	
369.692	13.2401	7.85308	
375.672	13.3622	7.74329	
381.748	13.4848	7.63506	
387.922	13.6120	7.52476	
394.197	13.7405	7.40820	
400.573	13.8645	7.27689	
407.052	13.9737	7.14150	
413.635	14.0737	7.00886	
420.326	14.1672	6.87860	
427.124	14.2557	6.75076	
434.032	14.3401	6.62527	
441.052	14.4212	6.50207	
448.186	14.5032	6.37999	
455.435	14.5811	6.25453	
462.802	14.6535	6.12761	
470.287	14.7197	6.00121	
477.894	14.7800	5.87733	
485.623	14.8363	5.75601	
493.478	14.8890	5.63719	
501.459	14.9384	5.52078	
509.570	14.9850	5.40686	
517.812	15.0290	5.29540	
526.187	15.0710	5.18647	
534.698	15.1114	5.08007	
543.346	15.1510	4.97602	
552.134	15.1921	4.87423	
561.065	15.2330	4.76649	
570.139	15.2670	4.65762	
579.361	15.2959	4.55280	
588.732	15.3223	4.45093	
598.254	15.3471	4.35170	
607.930	15.3706	4.25473	
617.763	15.3933	4.15991	
627.755	15.4167	4.06689	
637.908	15.4403	3.97208	
648.226	15.4617	3.87388	
658.711	15.4755	3.77450	
669.365	15.4819	3.67766	
680.191	15.4824	3.59184	
691.193	15.4865	3.51441	
702.372	15.4999	3.43951	
713.733	15.5163	3.35698	
725.277	15.5262	3.27020	
737.008	15.5315	3.18561	
748.928	15.5341	3.10323	
761.042	15.5345	3.02302	
773.351	15.5329	2.94500	
785.859	15.5299	2.86954	
798.570	15.5260	2.79646	
811.486	15.5214	2.72524	
824.611	15.5161	2.65581	
837.949	15.5103	2.58813	
851.502	15.5041	2.52161	
865.274	15.4971	2.45613	
879.269	15.4888	2.39175	
893.491	15.4795	2.32905	
907.943	15.4693	2.26801	
922.628	15.4585	2.20860	
937.551	15.4470	2.15060	
952.715	15.4349	2.09410	
968.124	15.4223	2.03908	
983.783	15.4093	1.98547	
999.695	15.3959	1.93318	
1015.86	15.3823	1.88216	
1032.29	15.3682	1.83173	
1048.99	15.3534	1.78246	
1065.96	15.3378	1.73434	
1083.20	15.3216	1.68751	
1100.72	15.3049	1.64194	
1118.52	15.2877	1.59758	
1136.61	15.2701	1.55445	
1155.	15.2520	1.51246	
1173.68	15.2335	1.47158	
1192.66	15.2145	1.43186	
1211.95	15.1952	1.39320	
1231.55	15.1755	1.35557	
1251.47	15.1553	1.31901	
1271.72	15.1347	1.28354	
1292.29	15.1138	1.24914	
1313.19	15.0925	1.21564	
1334.43	15.0709	1.18306	
1356.01	15.0488	1.15136	
1377.94	15.0263	1.12050	
1400.23	15.0034	1.09046	
1422.88	14.9798	1.06119	
1445.89	14.9556	1.03274	
1469.28	14.9308	1.00515	
1493.04	14.9051	0.978445	
1517.19	14.8790	0.953045	
1541.73	14.8524	0.928391	
1566.67	14.8254	0.904380	
1592.01	14.7976	0.880984	
1617.76	14.7690	0.858192	
1643.92	14.7396	0.835993	
1670.51	14.7091	0.814372	
1697.53	14.6776	0.793309	
1724.99	14.6452	0.772787	
1752.89	14.6112	0.752090	
1781.24	14.5753	0.731711	
1810.05	14.5373	0.711709	
1839.32	14.4969	0.692248	
1869.07	14.4539	0.673319	
1899.30	14.4080	0.654911	
1930.02	14.3589	0.637010	
1961.24	14.3061	0.619597	
1992.96	14.2488	0.602653	
2025.20	14.1870	0.586572	
2057.95	14.1192	0.570029	
2091.24	14.0437	0.553800	
2125.06	13.9591	0.537916	
2159.43	13.8633	0.522383	
2194.36	13.7531	0.507156	
2229.85	13.6240	0.492240	
2265.92	13.4692	0.477643	
2302.57	13.2776	0.463355	
2339.81	13.0290	0.449353	
2377.66	12.6820	0.435640	
2416.11	12.1250	0.422216	
2455.19	10.7868	0.409077	
2471.90	4.79408	0.403647	
2472.10	4.79536	4.10969	
2494.90	11.2689	4.05625	
2535.26	12.5388	3.96452	
2576.26	13.1810	3.87387	
2617.93	13.6189	3.78454	
2660.27	13.9525	3.69661	
2703.30	14.2218	3.60994	
2747.03	14.4470	3.52449	
2791.46	14.6397	3.44043	
2836.61	14.8077	3.35790	
2882.49	14.9558	3.27664	
2929.11	15.0876	3.19691	
2976.48	15.2060	3.11856	
3024.63	15.3126	3.04154	
3073.55	15.4092	2.96610	
3123.26	15.4972	2.89204	
3173.78	15.5775	2.81947	
3225.11	15.6508	2.74818	
3277.27	15.7180	2.67844	
3330.28	15.7798	2.61019	
3384.15	15.8366	2.54323	
3438.88	15.8888	2.47766	
3494.50	15.9368	2.41352	
3551.02	15.9810	2.35074	
3608.46	16.0217	2.28932	
3666.82	16.0592	2.22927	
3726.13	16.0937	2.17055	
3786.40	16.1254	2.11314	
3847.64	16.1546	2.05704	
3909.87	16.1814	2.00221	
3973.11	16.2060	1.94865	
4037.38	16.2285	1.89634	
4102.68	16.2492	1.84526	
4169.03	16.2680	1.79538	
4236.46	16.2851	1.74670	
4304.98	16.3007	1.69919	
4374.62	16.3148	1.65283	
4445.37	16.3276	1.60760	
4517.27	16.3391	1.56348	
4590.33	16.3494	1.52046	
4664.58	16.3586	1.47849	
4740.03	16.3667	1.43757	
4816.69	16.3739	1.39767	
4894.60	16.3801	1.35880	
4973.77	16.3855	1.32090	
5054.21	16.3901	1.28397	
5135.96	16.3939	1.24800	
5219.03	16.3971	1.21295	
5303.44	16.3995	1.17879	
5389.22	16.4014	1.14554	
5476.39	16.4027	1.11313	
5564.97	16.4034	1.08161	
5654.98	16.4037	1.05088	
5746.44	16.4035	1.02099	
5839.39	16.4028	0.991891	
5933.83	16.4018	0.963576	
6029.81	16.4004	0.935981	
6127.33	16.3986	0.909174	
6226.44	16.3965	0.883064	
6327.15	16.3941	0.857636	
6429.48	16.3914	0.832928	
6533.48	16.3885	0.808893	
6639.15	16.3854	0.785501	
6746.54	16.3820	0.762743	
6855.65	16.3784	0.740610	
6966.54	16.3746	0.719113	
7079.22	16.3707	0.698179	
7193.72	16.3667	0.677835	
7310.07	16.3625	0.658029	
7428.31	16.3581	0.638795	
7548.45	16.3537	0.620084	
7670.54	16.3491	0.601904	
7794.61	16.3445	0.584254	
7920.68	16.3398	0.567084	
8048.79	16.3351	0.550385	
8178.98	16.3302	0.534162	
8311.26	16.3254	0.518394	
8445.69	16.3205	0.503077	
8582.29	16.3155	0.488186	
8721.11	16.3105	0.473719	
8862.16	16.3055	0.459664	
9005.50	16.3005	0.446005	
9151.16	16.2955	0.432739	
9299.17	16.2905	0.419853	
9449.58	16.2855	0.407331	
9602.42	16.2805	0.395174	
9757.73	16.2755	0.383362	
9915.55	16.2705	0.371890	
10075.9	16.2656	0.360746	
10238.9	16.2607	0.349924	
10404.5	16.2558	0.339414	
10572.8	16.2509	0.329206	
10743.8	16.2461	0.319295	
10917.6	16.2413	0.309670	
11094.2	16.2366	0.300324	
11273.6	16.2318	0.291249	
11455.9	16.2272	0.282438	
11641.2	16.2226	0.273883	
11829.5	16.2180	0.265578	
12020.8	16.2135	0.257514	
12215.3	16.2090	0.249686	
12412.8	16.2046	0.242086	
12613.6	16.2002	0.234709	
12817.6	16.1959	0.227547	
13025.0	16.1917	0.220595	
13235.6	16.1875	0.213847	
13449.7	16.1833	0.207297	
13667.2	16.1792	0.200939	
13888.3	16.1752	0.194769	
14112.9	16.1712	0.188779	
14341.2	16.1673	0.182966	
14573.1	16.1634	0.177324	
14808.9	16.1596	0.171849	
15048.4	16.1559	0.166535	
15291.8	16.1522	0.161378	
15539.1	16.1486	0.156373	
15790.4	16.1450	0.151516	
16045.8	16.1415	0.146803	
16305.4	16.1381	0.142229	
16569.1	16.1347	0.137791	
16837.1	16.1314	0.133484	
17109.4	16.1281	0.129305	
17386.1	16.1249	0.125250	
17667.4	16.1217	0.121315	
17953.1	16.1186	0.117497	
18243.5	16.1155	0.113792	
18538.6	16.1125	0.110197	
18838.4	16.1096	0.106709	
19143.1	16.1067	0.103325	
19452.7	16.1039	0.100042	
19767.4	16.1011	0.968557E-01
20087.1	16.0983	0.937472E-01
20412.0	16.0956	0.907512E-01
20742.1	16.0930	0.878477E-01
21077.6	16.0904	0.850338E-01
21418.5	16.0878	0.823070E-01
21765.0	16.0853	0.796646E-01
22117.0	16.0829	0.771043E-01
22474.7	16.0805	0.746235E-01
22838.2	16.0781	0.722196E-01
23207.6	16.0758	0.698907E-01
23583.0	16.0735	0.676342E-01
23964.4	16.0713	0.654482E-01
24352.0	16.0692	0.633304E-01
24745.9	16.0670	0.612789E-01
25146.2	16.0649	0.592915E-01
25552.9	16.0629	0.573665E-01
25966.2	16.0609	0.555018E-01
26386.1	16.0589	0.536957E-01
26812.9	16.0570	0.519464E-01
27246.6	16.0552	0.502521E-01
27687.3	16.0533	0.486112E-01
28135.1	16.0515	0.470220E-01
28590.2	16.0498	0.454831E-01
29052.6	16.0481	0.439928E-01
29522.5	16.0464	0.425497E-01
30000.0	16.0447	0.411523E-01