ne.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.	0.479576E-15
10.1617	-9999.	0.487333E-15
10.3261	-9999.	0.495215E-15
10.4931	-9999.	0.503225E-15
10.6628	-9999.	0.511364E-15
10.8353	-9999.	0.519635E-15
11.0106	-9999.	0.528040E-15
11.1886	-9999.	0.536580E-15
11.3696	-9999.	0.545259E-15
11.5535	-9999.	0.554078E-15
11.7404	-9999.	0.563040E-15
11.9303	-9999.	0.572147E-15
12.1232	-9999.	0.581401E-15
12.3193	-9999.	0.590805E-15
12.5186	-9999.	0.600361E-15
12.7210	-9999.	0.610071E-15
12.9268	-9999.	0.619938E-15
13.1359	-9999.	0.629965E-15
13.3483	-9999.	0.640155E-15
13.5642	-9999.	0.650509E-15
13.7836	-9999.	0.661030E-15
14.0066	-9999.	0.671722E-15
14.2331	-9999.	0.682586E-15
14.4633	-9999.	0.693627E-15
14.6973	-9999.	0.704846E-15
14.9350	-9999.	0.716246E-15
15.1765	-9999.	0.727831E-15
15.4220	-9999.	0.739603E-15
15.6714	-9999.	0.751565E-15
15.9249	-9999.	0.763721E-15
16.1825	-9999.	0.776074E-15
16.4442	-9999.	0.788626E-15
16.7102	-9999.	0.801382E-15
16.9805	-9999.	0.814343E-15
17.2551	-9999.	0.827515E-15
17.5342	-9999.	0.840899E-15
17.8178	-9999.	0.854500E-15
18.1060	-9999.	0.868321E-15
18.3989	-9999.	0.882365E-15
18.6964	-9999.	0.896637E-15
18.9988	-9999.	0.911139E-15
19.3061	-9999.	0.925876E-15
19.6184	-9999.	0.940852E-15
19.9357	-9999.	0.956069E-15
20.2582	-9999.	0.971533E-15
20.5858	-9999.	0.987247E-15
20.9188	-9999.	0.100321E-14
21.2571	-9999.	0.101944E-14
21.5000	-9999.	0.103109E-14
21.7000	-9999.	1.79139	
21.9503	-9999.	1.95643	
22.3053	-9999.	2.21315	
22.6661	-9999.	2.50079	
23.0327	-9999.	2.64889	
23.4053	-9999.	2.78606	
23.7838	-9999.	2.90136	
24.1685	-9999.	3.01168	
24.5594	-9999.	3.10817	
24.9566	-9999.	3.20074	
25.3603	-9999.	3.28061	
25.7705	-9999.	3.36247	
26.1873	-9999.	3.44638	
26.6109	-9999.	3.51648	
27.0413	-9999.	3.57443	
27.4786	-9999.	3.63332	
27.9231	-9999.	3.69319	
28.3747	-9999.	3.72541	
28.8337	-9999.	3.75454	
29.3000	-0.722786	3.78390	
29.7739	-0.638325	3.80667	
30.2555	-0.572576	3.80777	
30.7449	-0.547169	3.80887	
31.2421	-0.527238	3.86953	
31.7475	-0.488279	3.93403	
32.2609	-0.439885	4.00099	
32.7827	-0.385659	4.06909	
33.3130	-0.321160	4.13833	
33.8518	-0.252235	4.19845	
34.3993	-0.186891	4.25469	
34.9557	-0.122622	4.31170	
35.5211	-0.582012E-01	4.36946	
36.0956	0.674596E-02	4.42800	
36.6794	0.716378E-01	4.48853	
37.2727	0.139639	4.55288	
37.8755	0.212833	4.61816	
38.4882	0.291005	4.68437	
39.1107	0.377165	4.75153	
39.7432	0.479881	4.81744	
40.3861	0.583162	4.85348	
41.0393	0.675584	4.88980	
41.7031	0.785214	4.92638	
42.3776	0.886627	4.92330	
43.0630	0.950661	4.91981	
43.7595	0.995369	4.92915	
44.4673	1.04260	4.96679	
45.1865	1.09860	5.00472	
45.9174	1.15509	5.04294	
46.6600	1.21056	5.08375	
47.4147	1.26770	5.12979	
48.1816	1.32690	5.17624	
48.9609	1.38098	5.22312	
49.7528	1.43043	5.27991	
50.5576	1.49011	5.35683	
51.3753	1.56422	5.43488	
52.2062	1.65650	5.51407	
53.0506	1.75929	5.57909	
53.9087	1.85924	5.63469	
54.7806	1.95960	5.69085	
55.6667	2.06458	5.74756	
56.5670	2.18172	5.80484	
57.4820	2.30444	5.83933	
58.4117	2.41966	5.86771	
59.3564	2.53134	5.89623	
60.3165	2.65269	5.92489	
61.2921	2.76610	5.91786	
62.2834	2.84275	5.90994	
63.2908	2.91410	5.95107	
64.3145	3.00481	5.99250	
65.3547	3.10324	6.03421	
66.4118	3.20810	6.07621	
67.4859	3.31970	6.11849	
68.5775	3.43868	6.16108	
69.6867	3.58000	6.20396	
70.8138	3.73593	6.22061	
71.9591	3.87602	6.20429	
73.1230	3.99693	6.18801	
74.3057	4.10545	6.17671	
75.5076	4.21230	6.17497	
76.7289	4.32332	6.17323	
77.9699	4.43449	6.17149	
79.2310	4.54643	6.16951	
80.5125	4.65930	6.16729	
81.8147	4.77363	6.16507	
83.1380	4.89047	6.16286	
84.4827	5.01150	6.16065	
85.8491	5.14335	6.15843	
87.2377	5.27923	6.13190	
88.6487	5.40393	6.09959	
90.0825	5.52126	6.06745	
91.5395	5.63579	6.03548	
93.0201	5.74841	6.00367	
94.5246	5.86002	5.97204	
96.0535	5.96754	5.94057	
97.6071	6.07102	5.91640	
99.1858	6.21026	5.91586	
100.790	6.36239	5.86022	
102.420	6.49005	5.80511	
104.077	6.62335	5.74533	
105.760	6.74851	5.66045	
107.471	6.85669	5.57681	
109.209	6.95637	5.49442	
110.975	7.04990	5.41324	
112.770	7.13870	5.33326	
114.594	7.22406	5.25446	
116.448	7.30822	5.17522	
118.331	7.38800	5.09217	
120.245	7.46106	5.01045	
122.190	7.53053	4.93005	
124.166	7.59679	4.85093	
126.175	7.66034	4.77309	
128.215	7.72164	4.69648	
130.289	7.78103	4.62112	
132.397	7.84246	4.54697	
134.538	7.90168	4.46606	
136.714	7.95319	4.38620	
138.925	8.00152	4.30777	
141.172	8.04685	4.23074	
143.456	8.08951	4.15509	
145.776	8.12971	4.08079	
148.134	8.16754	4.00782	
150.530	8.20301	3.93615	
152.964	8.23612	3.86577	
155.439	8.26330	3.79664	
157.953	8.28781	3.73619	
160.507	8.31714	3.68212	
163.103	8.35015	3.62882	
165.742	8.38588	3.57630	
168.422	8.42488	3.52453	
171.146	8.46918	3.47352	
173.915	8.52709	3.42324	
176.727	8.60566	3.33971	
179.586	8.63273	3.18737	
182.491	8.60965	3.12893	
185.442	8.61713	3.06989	
188.442	8.62845	3.01163	
191.489	8.64103	2.95426	
194.587	8.65396	2.89868	
197.734	8.66744	2.84434	
200.932	8.68132	2.79115	
204.182	8.69565	2.73904	
207.485	8.71077	2.68788	
210.840	8.72822	2.63765	
214.251	8.74635	2.58158	
217.716	8.76064	2.52530	
221.237	8.77223	2.46916	
224.816	8.78174	2.41430	
228.452	8.78979	2.36065	
232.147	8.79661	2.30819	
235.902	8.80235	2.25686	
239.717	8.80715	2.20669	
243.595	8.81111	2.15765	
247.535	8.81436	2.10972	
251.538	8.81697	2.06282	
255.607	8.81896	2.01694	
259.741	8.82046	1.97218	
263.942	8.82164	1.92836	
268.211	8.82249	1.88543	
272.549	8.82346	1.84358	
276.957	8.82493	1.80142	
281.437	8.82552	1.75865	
285.989	8.82447	1.71610	
290.615	8.82217	1.67444	
295.315	8.81886	1.63373	
300.092	8.81476	1.59405	
304.945	8.81001	1.55535	
309.878	8.80468	1.51761	
314.890	8.79880	1.48071	
319.983	8.79238	1.44471	
325.158	8.78549	1.40962	
330.418	8.77817	1.37537	
335.762	8.77043	1.34195	
341.192	8.76232	1.30936	
346.711	8.75385	1.27755	
352.319	8.74505	1.24651	
358.017	8.73594	1.21623	
363.808	8.72656	1.18669	
369.692	8.71694	1.15786	
375.672	8.70715	1.12973	
381.748	8.69761	1.10229	
387.922	8.68824	1.07477	
394.197	8.67788	1.04635	
400.573	8.66621	1.01886	
407.052	8.65390	0.992161	
413.635	8.64100	0.966161	
420.326	8.62755	0.940839	
427.124	8.61357	0.916181	
434.032	8.59908	0.892172	
441.052	8.58410	0.868792	
448.186	8.56866	0.846004	
455.435	8.55270	0.823712	
462.802	8.53615	0.801953	
470.287	8.51899	0.780739	
477.894	8.50122	0.760082	
485.623	8.48282	0.739973	
493.478	8.46377	0.720396	
501.459	8.44404	0.701336	
509.570	8.42359	0.682789	
517.812	8.40239	0.664740	
526.187	8.38037	0.647177	
534.698	8.35750	0.630129	
543.346	8.33378	0.613550	
552.134	8.30914	0.597392	
561.065	8.28343	0.581446	
570.139	8.25634	0.565869	
579.361	8.22785	0.550989	
588.732	8.19810	0.536590	
598.254	8.16694	0.522623	
607.930	8.13419	0.509022	
617.763	8.09971	0.495782	
627.755	8.06333	0.482858	
637.908	8.02490	0.469866	
648.226	7.98369	0.456687	
658.711	7.93886	0.443532	
669.365	7.88993	0.430757	
680.191	7.83651	0.419564	
691.193	7.77932	0.409597	
702.372	7.71813	0.400185	
713.733	7.65152	0.390453	
725.277	7.57766	0.380595	
737.008	7.49521	0.370963	
748.928	7.40231	0.361591	
761.042	7.29647	0.352460	
773.351	7.17415	0.343481	
785.859	7.03000	0.334490	
798.570	6.85573	0.325538	
811.486	6.63820	0.316826	
824.611	6.35358	0.308346	
837.949	5.95155	0.300094	
851.502	5.29351	0.292063	
865.274	3.59708	0.284248	
870.100	-1.59786	0.281588	
870.300	-1.59368	4.51161	
879.269	4.56045	4.44449	
893.491	5.91462	4.34146	
907.943	6.62676	4.24078	
922.628	7.11804	4.14240	
937.551	7.49445	4.04632	
952.715	7.79960	3.95247	
968.124	8.05596	3.86078	
983.783	8.27687	3.77122	
999.695	8.47121	3.68310	
1015.86	8.64476	3.59637	
1032.29	8.79982	3.50583	
1048.99	8.93632	3.41781	
1065.96	9.05890	3.33231	
1083.20	9.16978	3.24896	
1100.72	9.27054	3.16769	
1118.52	9.36245	3.08843	
1136.61	9.44655	3.01119	
1155.	9.52375	2.93587	
1173.68	9.59478	2.86243	
1192.66	9.66028	2.79083	
1211.95	9.72084	2.72102	
1231.55	9.77699	2.65295	
1251.47	9.82924	2.58624	
1271.72	9.87761	2.52088	
1292.29	9.92223	2.45679	
1313.19	9.96338	2.39428	
1334.43	10.0014	2.33337	
1356.01	10.0366	2.27403	
1377.94	10.0693	2.21618	
1400.23	10.0997	2.15980	
1422.88	10.1279	2.10484	
1445.89	10.1543	2.05128	
1469.28	10.1790	1.99890	
1493.04	10.2023	1.94758	
1517.19	10.2240	1.89639	
1541.73	10.2432	1.84637	
1566.67	10.2607	1.79766	
1592.01	10.2767	1.75022	
1617.76	10.2912	1.70405	
1643.92	10.3045	1.65912	
1670.51	10.3167	1.61535	
1697.53	10.3278	1.57273	
1724.99	10.3383	1.53124	
1752.89	10.3480	1.49017	
1781.24	10.3563	1.44996	
1810.05	10.3636	1.41060	
1839.32	10.3699	1.37235	
1869.07	10.3753	1.33513	
1899.30	10.3800	1.29892	
1930.02	10.3840	1.26371	
1961.24	10.3874	1.22944	
1992.96	10.3901	1.19608	
2025.20	10.3926	1.16410	
2057.95	10.3950	1.13218	
2091.24	10.3964	1.10097	
2125.06	10.3973	1.07062	
2159.43	10.3978	1.04110	
2194.36	10.3979	1.01223	
2229.85	10.3976	0.984136	
2265.92	10.3969	0.956770	
2302.57	10.3958	0.930103	
2339.81	10.3944	0.904127	
2377.66	10.3927	0.878825	
2416.11	10.3907	0.854188	
2455.19	10.3885	0.830187	
2494.90	10.3860	0.806817	
2535.26	10.3833	0.784061	
2576.26	10.3804	0.761901	
2617.93	10.3774	0.740321	
2660.27	10.3741	0.719320	
2703.30	10.3707	0.698870	
2747.03	10.3671	0.678965	
2791.46	10.3634	0.659589	
2836.61	10.3596	0.640726	
2882.49	10.3557	0.622378	
2929.11	10.3516	0.604504	
2976.48	10.3475	0.587115	
3024.63	10.3433	0.570193	
3073.55	10.3390	0.553728	
3123.26	10.3347	0.537703	
3173.78	10.3303	0.522116	
3225.11	10.3259	0.506956	
3277.27	10.3214	0.492196	
3330.28	10.3169	0.477824	
3384.15	10.3124	0.463861	
3438.88	10.3078	0.450268	
3494.50	10.3032	0.437039	
3551.02	10.2986	0.424180	
3608.46	10.2940	0.411660	
3666.82	10.2894	0.399495	
3726.13	10.2848	0.387646	
3786.40	10.2802	0.376136	
3847.64	10.2756	0.364929	
3909.87	10.2711	0.354038	
3973.11	10.2665	0.343434	
4037.38	10.2620	0.333068	
4102.68	10.2574	0.323058	
4169.03	10.2529	0.313321	
4236.46	10.2483	0.303851	
4304.98	10.2439	0.294663	
4374.62	10.2394	0.285729	
4445.37	10.2350	0.277040	
4517.27	10.2306	0.268603	
4590.33	10.2263	0.260404	
4664.58	10.2220	0.252455	
4740.03	10.2177	0.244712	
4816.69	10.2135	0.237208	
4894.60	10.2093	0.229920	
4973.77	10.2052	0.222838	
5054.21	10.2011	0.215963	
5135.96	10.1970	0.209289	
5219.03	10.1930	0.202809	
5303.44	10.1891	0.196519	
5389.22	10.1852	0.190412	
5476.39	10.1813	0.184485	
5564.97	10.1775	0.178735	
5654.98	10.1738	0.173151	
5746.44	10.1701	0.167735	
5839.39	10.1664	0.162478	
5933.83	10.1628	0.157379	
6029.81	10.1593	0.152431	
6127.33	10.1558	0.147632	
6226.44	10.1524	0.142974	
6327.15	10.1490	0.138457	
6429.48	10.1457	0.134077	
6533.48	10.1424	0.129827	
6639.15	10.1392	0.125706	
6746.54	10.1360	0.121709	
6855.65	10.1329	0.117834	
6966.54	10.1298	0.114074	
7079.22	10.1268	0.110431	
7193.72	10.1239	0.106898	
7310.07	10.1210	0.103474	
7428.31	10.1181	0.100154	
7548.45	10.1153	0.969350E-01
7670.54	10.1126	0.938140E-01
7794.61	10.1099	0.907908E-01
7920.68	10.1072	0.878584E-01
8048.79	10.1046	0.850180E-01
8178.98	10.1021	0.822656E-01
8311.26	10.0996	0.795985E-01
8445.69	10.0971	0.770135E-01
8582.29	10.0947	0.745080E-01
8721.11	10.0923	0.720825E-01
8862.16	10.0900	0.697322E-01
9005.50	10.0878	0.674551E-01
9151.16	10.0855	0.652458E-01
9299.17	10.0834	0.631096E-01
9449.58	10.0812	0.610392E-01
9602.42	10.0791	0.590324E-01
9757.73	10.0771	0.570907E-01
9915.55	10.0751	0.552107E-01
10075.9	10.0731	0.533891E-01
10238.9	10.0712	0.516251E-01
10404.5	10.0693	0.499169E-01
10572.8	10.0675	0.482630E-01
10743.8	10.0657	0.466616E-01
10917.6	10.0639	0.451112E-01
11094.2	10.0622	0.436103E-01
11273.6	10.0605	0.421572E-01
11455.9	10.0588	0.407507E-01
11641.2	10.0572	0.393893E-01
11829.5	10.0556	0.380715E-01
12020.8	10.0541	0.367961E-01
12215.3	10.0526	0.355617E-01
12412.8	10.0511	0.343672E-01
12613.6	10.0496	0.332113E-01
12817.6	10.0482	0.320928E-01
13025.0	10.0468	0.310105E-01
13235.6	10.0455	0.299634E-01
13449.7	10.0442	0.289504E-01
13667.2	10.0429	0.279703E-01
13888.3	10.0416	0.270223E-01
14112.9	10.0404	0.261052E-01
14341.2	10.0392	0.252182E-01
14573.1	10.0380	0.243603E-01
14808.9	10.0369	0.235306E-01
15048.4	10.0357	0.227282E-01
15291.8	10.0346	0.219522E-01
15539.1	10.0336	0.212020E-01
15790.4	10.0325	0.204765E-01
16045.8	10.0315	0.197751E-01
16305.4	10.0305	0.190970E-01
16569.1	10.0295	0.184415E-01
16837.1	10.0286	0.178078E-01
17109.4	10.0277	0.171953E-01
17386.1	10.0268	0.166034E-01
17667.4	10.0259	0.160312E-01
17953.1	10.0250	0.154784E-01
18243.5	10.0242	0.149441E-01
18538.6	10.0234	0.144279E-01
18838.4	10.0226	0.139291E-01
19143.1	10.0218	0.134472E-01
19452.7	10.0210	0.129817E-01
19767.4	10.0203	0.125320E-01
20087.1	10.0195	0.121005E-01
20412.0	10.0188	0.116811E-01
20742.1	10.0182	0.112763E-01
21077.6	10.0175	0.108855E-01
21418.5	10.0168	0.105083E-01
21765.0	10.0162	0.101442E-01
22117.0	10.0156	0.979270E-02
22474.7	10.0150	0.945338E-02
22838.2	10.0144	0.912581E-02
23207.6	10.0138	0.880958E-02
23583.0	10.0132	0.850428E-02
23964.4	10.0127	0.820956E-02
24352.0	10.0122	0.792501E-02
24745.9	10.0117	0.765031E-02
25146.2	10.0112	0.738508E-02
25552.9	10.0107	0.712903E-02
25966.2	10.0102	0.688181E-02
26386.1	10.0097	0.664311E-02
26812.9	10.0093	0.641266E-02
27246.6	10.0088	0.619014E-02
27687.3	10.0084	0.597531E-02
28135.1	10.0080	0.576787E-02
28590.2	10.0076	0.556759E-02
29052.6	10.0072	0.537420E-02
29522.5	10.0068	0.518748E-02
30000.0	10.0064	0.500718E-02