mg.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.	0.925044	
10.1617	-9999.	0.793444	
10.3261	-9999.	0.680567	
10.4931	-9999.	0.583747	
10.6628	-9999.	0.500699	
10.8353	-9999.	0.429469	
11.0106	-9999.	0.368371	
11.1886	-9999.	0.315965	
11.3696	-9999.	0.271014	
11.5535	-9999.	0.232459	
11.7404	-9999.	0.211041	
11.9303	-9999.	0.201813	
12.1232	-9999.	0.192988	
12.3193	-9999.	0.184549	
12.5186	-9999.	0.176479	
12.7210	-9999.	0.168762	
12.9268	-9999.	0.161383	
13.1359	-9999.	0.154326	
13.3483	-9999.	0.147578	
13.5642	-9999.	0.141125	
13.7836	-9999.	0.134954	
14.0066	-9999.	0.129053	
14.2331	-9999.	0.123410	
14.4633	-9999.	0.118013	
14.6973	-9999.	0.112853	
14.9350	-9999.	0.107918	
15.1765	-9999.	0.103199	
15.4220	-9999.	0.986868E-01
15.6714	-9999.	0.943715E-01
15.9249	-9999.	0.902449E-01
16.1825	-9999.	0.862988E-01
16.4442	-9999.	0.859980E-01
16.7102	-9999.	0.862263E-01
16.9805	-9999.	0.864552E-01
17.2551	-9999.	0.866847E-01
17.5342	-9999.	0.869148E-01
17.8178	-9999.	0.871455E-01
18.1060	-9999.	0.873768E-01
18.3989	-9999.	0.876087E-01
18.6964	-9999.	0.878412E-01
18.9988	-9999.	0.880745E-01
19.3061	-9999.	0.883082E-01
19.6184	-9999.	0.899293E-01
19.9357	-9999.	0.917246E-01
20.2582	-9999.	0.935558E-01
20.5858	-9999.	0.954235E-01
20.9188	-9999.	0.973285E-01
21.2571	-9999.	0.992715E-01
21.6009	-9999.	0.101253	
21.9503	-9999.	0.103275	
22.3053	-9999.	0.105337	
22.6661	-9999.	0.107439	
23.0327	-9999.	0.109584	
23.4053	-9999.	0.111772	
23.7838	-9999.	0.114003	
24.1685	-9999.	0.116279	
24.5594	-9999.	0.118601	
24.9566	-9999.	0.120969	
25.3603	-9999.	0.123384	
25.7705	-9999.	0.125847	
26.1873	-9999.	0.127326	
26.6109	-9999.	0.128800	
27.0413	-9999.	0.130291	
27.4786	-9999.	0.131798	
27.9231	-9999.	0.133324	
28.3747	-9999.	0.134867	
28.8337	-9999.	0.136428	
29.3000	1.28306	0.138006	
29.7739	1.26035	0.139604	
30.2555	1.23660	0.141219	
30.7449	1.21176	0.142854	
31.2421	1.18579	0.144507	
31.7475	1.15865	0.146179	
32.2609	1.13051	0.147871	
32.7827	1.10145	0.149152	
33.3130	1.07038	0.149283	
33.8518	1.03704	0.149415	
34.3993	1.00158	0.149547	
34.9557	0.963920	0.149679	
35.5211	0.923943	0.149811	
36.0956	0.881497	0.149943	
36.6794	0.836407	0.150076	
37.2727	0.788491	0.150208	
37.8755	0.737595	0.150341	
38.4882	0.683992	0.150473	
39.1107	0.626607	0.148531	
39.7432	0.563719	0.145775	
40.3861	0.494750	0.143069	
41.0393	0.419553	0.140414	
41.7031	0.337346	0.137808	
42.3776	0.247091	0.135250	
43.0630	0.147466	0.132794	
43.7595	0.366648E-01	0.130386	
44.4673	-0.878440E-01	0.128021	
45.1865	-0.229706	0.125699	
45.9174	-0.394682	0.123419	
46.6600	-0.592764	0.121619	
47.4147	-0.838664	0.123035	
48.1816	-1.17162	0.124468	
48.9609	-1.74178	0.125918	
49.4000	-2.66223	0.126731	
49.6000	-2.72520	1.67475	
49.7528	-2.31057	1.69596	
50.5576	-1.77151	1.81096	
51.3753	-1.62590	1.93377	
52.2062	-1.56726	2.06490	
53.0506	-1.54554	2.20492	
53.9087	-1.54170	2.35444	
54.7806	-1.54710	2.51410	
55.6667	-1.55512	2.68459	
56.5670	-1.56166	2.86663	
57.4820	-1.56114	3.06103	
58.4117	-1.54510	3.26859	
59.3564	-1.49011	3.48238	
60.3165	-1.43611	3.64316	
61.2921	-1.39939	3.81136	
62.2834	-1.36536	3.98732	
63.2908	-1.32880	4.17141	
64.3145	-1.28667	4.36400	
65.3547	-1.23542	4.56548	
66.4118	-1.16176	4.77626	
67.4859	-1.06036	4.97750	
68.5775	-0.964643	5.14266	
69.6867	-0.881115	5.31329	
70.8138	-0.800267	5.48959	
71.9591	-0.723011	5.67174	
73.1230	-0.649063	5.88066	
74.3057	-0.551523	6.12027	
75.5076	-0.385048	6.36964	
76.7289	-0.190817	6.56452	
77.9699	-0.134145E-01	6.73571	
79.2310	0.162804	6.91135	
80.5125	0.357263	7.09158	
81.8147	0.569237	7.26009	
83.1380	0.800413	7.41951	
84.4827	1.06871	7.56137	
85.8491	1.32247	7.62538	
87.2377	1.54667	7.68993	
88.6487	1.76303	7.75136	
90.0825	1.97522	7.80845	
91.5395	2.18356	7.85861	
93.0201	2.38810	7.90391	
94.5246	2.59042	7.94441	
96.0535	2.79106	7.97987	
97.6071	2.98884	8.00922	
99.1858	3.18419	8.03453	
100.790	3.37764	8.05500	
102.420	3.56993	8.07185	
104.077	3.75994	8.08214	
105.760	3.94730	8.08897	
107.471	4.13343	8.09198	
109.209	4.31733	8.08993	
110.975	4.49878	8.08436	
112.770	4.67860	8.07520	
114.594	4.85678	8.06173	
116.448	5.03231	8.04380	
118.331	5.20502	8.02275	
120.245	5.37577	7.99874	
122.190	5.54459	7.97099	
124.166	5.71065	7.93965	
126.175	5.87427	7.90585	
128.215	6.03605	7.86914	
130.289	6.19570	7.82887	
132.397	6.35269	7.78561	
134.538	6.50692	7.73949	
136.714	6.65859	7.69090	
138.925	6.80781	7.63976	
141.172	6.95448	7.58619	
143.456	7.09862	7.53029	
145.776	7.24023	7.47213	
148.134	7.37940	7.41176	
150.530	7.51594	7.34912	
152.964	7.64976	7.28448	
155.439	7.78099	7.21797	
157.953	7.90960	7.14950	
160.507	8.03551	7.07932	
163.103	8.15884	7.00745	
165.742	8.27957	6.93394	
168.422	8.39759	6.85870	
171.146	8.51283	6.78202	
173.915	8.62529	6.70394	
176.727	8.73505	6.62468	
179.586	8.84210	6.54414	
182.491	8.94655	6.46261	
185.442	9.04811	6.37969	
188.442	9.14704	6.29627	
191.489	9.24355	6.21157	
194.587	9.33722	6.12593	
197.734	9.42817	6.03952	
200.932	9.51635	5.95227	
204.182	9.60172	5.86444	
207.485	9.68419	5.77596	
210.840	9.76407	5.68749	
214.251	9.84144	5.59833	
217.716	9.91588	5.50887	
221.237	9.98777	5.41942	
224.816	10.0573	5.32966	
228.452	10.1241	5.23957	
232.147	10.1881	5.14959	
235.902	10.2496	5.05976	
239.717	10.3087	4.97009	
243.595	10.3653	4.88051	
247.535	10.4194	4.79106	
251.538	10.4708	4.70203	
255.607	10.5202	4.61364	
259.741	10.5672	4.52525	
263.942	10.6116	4.43749	
268.211	10.6538	4.35040	
272.549	10.6938	4.26396	
276.957	10.7316	4.17818	
281.437	10.7673	4.09312	
285.989	10.8009	4.00888	
290.615	10.8325	3.92543	
295.315	10.8622	3.84289	
300.092	10.8899	3.76097	
304.945	10.9156	3.68008	
309.878	10.9397	3.60052	
314.890	10.9621	3.52132	
319.983	10.9823	3.44358	
325.158	11.0013	3.36695	
330.418	11.0185	3.29090	
335.762	11.0339	3.21632	
341.192	11.0481	3.14293	
346.711	11.0609	3.07051	
352.319	11.0721	2.99906	
358.017	11.0819	2.92891	
363.808	11.0905	2.85991	
369.692	11.0978	2.79206	
375.672	11.1038	2.72528	
381.748	11.1085	2.65960	
387.922	11.1121	2.59553	
394.197	11.1147	2.53231	
400.573	11.1162	2.47064	
407.052	11.1169	2.40995	
413.635	11.1166	2.35039	
420.326	11.1154	2.29197	
427.124	11.1132	2.23451	
434.032	11.1100	2.17832	
441.052	11.1060	2.12336	
448.186	11.1013	2.06943	
455.435	11.0956	2.01670	
462.802	11.0892	1.96521	
470.287	11.0823	1.91498	
477.894	11.0748	1.86558	
485.623	11.0665	1.81746	
493.478	11.0577	1.77036	
501.459	11.0482	1.72415	
509.570	11.0382	1.67908	
517.812	11.0275	1.63494	
526.187	11.0162	1.59213	
534.698	11.0048	1.55011	
543.346	10.9927	1.50875	
552.134	10.9797	1.46845	
561.065	10.9662	1.42970	
570.139	10.9529	1.39167	
579.361	10.9388	1.35382	
588.732	10.9241	1.31794	
598.254	10.9094	1.28214	
607.930	10.8934	1.24710	
617.763	10.8772	1.21386	
627.755	10.8610	1.18073	
637.908	10.8441	1.14872	
648.226	10.8267	1.11698	
658.711	10.8088	1.08685	
669.365	10.7904	1.05629	
680.191	10.7712	1.02794	
691.193	10.7521	0.999157	
702.372	10.7321	0.971770	
713.733	10.7116	0.944684	
725.277	10.6907	0.918818	
737.008	10.6690	0.892689	
748.928	10.6465	0.868305	
761.042	10.6239	0.843442	
773.351	10.5998	0.819702	
785.859	10.5753	0.796849	
798.570	10.5500	0.774110	
811.486	10.5236	0.752512	
824.611	10.4966	0.730864	
837.949	10.4678	0.710001	
851.502	10.4383	0.690546	
865.274	10.4080	0.670220	
879.269	10.3756	0.651105	
893.491	10.3423	0.632241	
907.943	10.3069	0.613651	
922.628	10.2693	0.595822	
937.551	10.2301	0.578832	
952.715	10.1879	0.561041	
968.124	10.1426	0.545052	
983.783	10.0906	0.529008	
999.695	10.0380	0.525262	
1015.86	9.99147	0.510831	
1032.29	9.93634	0.496893	
1048.99	9.87582	0.483246	
1065.96	9.80931	0.469879	
1083.20	9.73584	0.456885	
1100.72	9.65419	0.444252	
1118.52	9.56260	0.431968	
1136.61	9.45870	0.420021	
1155.	9.33916	0.408405	
1173.68	9.19918	0.397112	
1192.66	9.03146	0.386127	
1211.95	8.82413	0.375447	
1231.55	8.55613	0.365066	
1251.47	8.18440	0.355016	
1271.72	7.59699	0.345289	
1292.29	6.27650	0.335885	
1302.90	0.193487	0.331189	
1303.10	0.196396	4.46720	
1313.19	6.34747	4.41667	
1334.43	7.91579	4.31336	
1356.01	8.66482	4.21247	
1377.94	9.16725	4.11397	
1400.23	9.54661	4.01774	
1422.88	9.85105	3.92374	
1445.89	10.1046	3.83197	
1469.28	10.3212	3.74241	
1493.04	10.5095	3.65503	
1517.19	10.6755	3.56991	
1541.73	10.8236	3.48680	
1566.67	10.9567	3.40561	
1592.01	11.0772	3.32632	
1617.76	11.1869	3.24889	
1643.92	11.2874	3.17328	
1670.51	11.3800	3.09941	
1697.53	11.4658	3.02727	
1724.99	11.5464	2.95683	
1752.89	11.6222	2.88462	
1781.24	11.6909	2.81304	
1810.05	11.7536	2.74243	
1839.32	11.8109	2.67357	
1869.07	11.8637	2.60642	
1899.30	11.9124	2.54098	
1930.02	11.9575	2.47719	
1961.24	11.9995	2.41499	
1992.96	12.0381	2.35432	
2025.20	12.0748	2.29660	
2057.95	12.1106	2.23733	
2091.24	12.1426	2.17918	
2125.06	12.1719	2.12232	
2159.43	12.1989	2.06667	
2194.36	12.2237	2.01221	
2229.85	12.2465	1.95898	
2265.92	12.2675	1.90689	
2302.57	12.2866	1.85598	
2339.81	12.3042	1.80623	
2377.66	12.3201	1.75758	
2416.11	12.3346	1.71015	
2455.19	12.3479	1.66379	
2494.90	12.3597	1.61844	
2535.26	12.3704	1.57425	
2576.26	12.3799	1.53110	
2617.93	12.3884	1.48903	
2660.27	12.3960	1.44797	
2703.30	12.4026	1.40788	
2747.03	12.4083	1.36879	
2791.46	12.4133	1.33067	
2836.61	12.4174	1.29350	
2882.49	12.4208	1.25727	
2929.11	12.4235	1.22195	
2976.48	12.4256	1.18753	
3024.63	12.4272	1.15400	
3073.55	12.4281	1.12132	
3123.26	12.4285	1.08948	
3173.78	12.4285	1.05847	
3225.11	12.4280	1.02828	
3277.27	12.4271	0.998862	
3330.28	12.4257	0.970228	
3384.15	12.4240	0.942357	
3438.88	12.4220	0.915219	
3494.50	12.4196	0.888815	
3551.02	12.4170	0.863111	
3608.46	12.4141	0.838088	
3666.82	12.4109	0.813743	
3726.13	12.4075	0.790079	
3786.40	12.4039	0.767030	
3847.64	12.4001	0.744627	
3909.87	12.3961	0.722839	
3973.11	12.3919	0.701651	
4037.38	12.3876	0.681040	
4102.68	12.3832	0.660987	
4169.03	12.3786	0.641500	
4236.46	12.3740	0.622564	
4304.98	12.3692	0.604156	
4374.62	12.3644	0.586252	
4445.37	12.3594	0.568843	
4517.27	12.3544	0.551929	
4590.33	12.3494	0.535513	
4664.58	12.3443	0.519538	
4740.03	12.3391	0.504023	
4816.69	12.3340	0.488957	
4894.60	12.3288	0.474312	
4973.77	12.3236	0.460073	
5054.21	12.3184	0.446257	
5135.96	12.3131	0.432841	
5219.03	12.3079	0.419788	
5303.44	12.3027	0.407142	
5389.22	12.2975	0.394823	
5476.39	12.2923	0.382882	
5564.97	12.2871	0.371283	
5654.98	12.2820	0.360049	
5746.44	12.2768	0.349097	
5839.39	12.2718	0.338494	
5933.83	12.2667	0.328186	
6029.81	12.2617	0.318185	
6127.33	12.2567	0.308475	
6226.44	12.2518	0.299050	
6327.15	12.2469	0.289903	
6429.48	12.2420	0.281025	
6533.48	12.2372	0.272409	
6639.15	12.2325	0.264045	
6746.54	12.2278	0.255930	
6855.65	12.2231	0.248059	
6966.54	12.2186	0.240419	
7079.22	12.2140	0.233003	
7193.72	12.2096	0.225810	
7310.07	12.2051	0.218830	
7428.31	12.2008	0.212064	
7548.45	12.1965	0.205494	
7670.54	12.1923	0.199123	
7794.61	12.1881	0.192944	
7920.68	12.1840	0.186949	
8048.79	12.1799	0.181132	
8178.98	12.1759	0.175491	
8311.26	12.1720	0.170021	
8445.69	12.1681	0.164716	
8582.29	12.1643	0.159573	
8721.11	12.1606	0.154583	
8862.16	12.1569	0.149745	
9005.50	12.1533	0.145051	
9151.16	12.1497	0.140504	
9299.17	12.1462	0.136089	
9449.58	12.1428	0.131812	
9602.42	12.1394	0.127666	
9757.73	12.1361	0.123644	
9915.55	12.1329	0.119748	
10075.9	12.1297	0.115968	
10238.9	12.1265	0.112305	
10404.5	12.1234	0.108753	
10572.8	12.1204	0.105310	
10743.8	12.1175	0.101972	
10917.6	12.1146	0.987374E-01
11094.2	12.1117	0.956017E-01
11273.6	12.1089	0.925624E-01
11455.9	12.1062	0.896166E-01
11641.2	12.1035	0.867616E-01
11829.5	12.1008	0.839945E-01
12020.8	12.0983	0.813128E-01
12215.3	12.0957	0.787139E-01
12412.8	12.0932	0.761954E-01
12613.6	12.0908	0.737547E-01
12817.6	12.0884	0.713897E-01
13025.0	12.0861	0.690979E-01
13235.6	12.0838	0.668773E-01
13449.7	12.0816	0.647256E-01
13667.2	12.0794	0.626407E-01
13888.3	12.0773	0.606208E-01
14112.9	12.0752	0.586636E-01
14341.2	12.0731	0.567674E-01
14573.1	12.0711	0.549303E-01
14808.9	12.0691	0.531506E-01
15048.4	12.0672	0.514265E-01
15291.8	12.0653	0.497562E-01
15539.1	12.0635	0.481382E-01
15790.4	12.0617	0.465708E-01
16045.8	12.0599	0.450526E-01
16305.4	12.0582	0.435819E-01
16569.1	12.0565	0.421575E-01
16837.1	12.0549	0.407777E-01
17109.4	12.0533	0.394413E-01
17386.1	12.0517	0.381470E-01
17667.4	12.0502	0.368933E-01
17953.1	12.0487	0.356792E-01
18243.5	12.0472	0.345034E-01
18538.6	12.0458	0.333647E-01
18838.4	12.0443	0.322619E-01
19143.1	12.0430	0.311940E-01
19452.7	12.0416	0.301599E-01
19767.4	12.0403	0.291585E-01
20087.1	12.0390	0.281917E-01
20412.0	12.0378	0.272533E-01
20742.1	12.0366	0.263454E-01
21077.6	12.0354	0.254671E-01
21418.5	12.0342	0.246174E-01
21765.0	12.0331	0.237953E-01
22117.0	12.0320	0.230000E-01
22474.7	12.0309	0.222307E-01
22838.2	12.0298	0.214865E-01
23207.6	12.0288	0.207665E-01
23583.0	12.0278	0.200701E-01
23964.4	12.0268	0.193964E-01
24352.0	12.0258	0.187448E-01
24745.9	12.0249	0.181145E-01
25146.2	12.0240	0.175048E-01
25552.9	12.0231	0.169151E-01
25966.2	12.0222	0.163447E-01
26386.1	12.0213	0.157930E-01
26812.9	12.0205	0.152594E-01
27246.6	12.0197	0.147434E-01
27687.3	12.0189	0.142443E-01
28135.1	12.0181	0.137616E-01
28590.2	12.0174	0.132949E-01
29052.6	12.0167	0.128435E-01
29522.5	12.0159	0.124069E-01
30000.0	12.0152	0.119848E-01