h.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.	0.239540E-16
10.1617	-9999.	0.243414E-16
10.3261	-9999.	0.247351E-16
10.4931	-9999.	0.251352E-16
10.6628	-9999.	0.255417E-16
10.8353	-9999.	0.259549E-16
11.0106	-9999.	0.263746E-16
11.1886	-9999.	0.268012E-16
11.3696	-9999.	0.272347E-16
11.5535	-9999.	0.276752E-16
11.7404	-9999.	0.281229E-16
11.9303	-9999.	0.285777E-16
12.1232	-9999.	0.290399E-16
12.3193	-9999.	0.295096E-16
12.5186	-9999.	0.299869E-16
12.7210	-9999.	0.304720E-16
12.9268	-9999.	0.309648E-16
13.1359	-9999.	0.314656E-16
13.3483	-9999.	0.319746E-16
13.5642	-9999.	0.324917E-16
13.7836	-9999.	0.330173E-16
14.0066	-9999.	0.335513E-16
14.2331	-9999.	0.340940E-16
14.4633	-9999.	0.346454E-16
14.6973	-9999.	0.352058E-16
14.9350	-9999.	0.357752E-16
15.1765	-9999.	0.363538E-16
15.4220	-9999.	0.369418E-16
15.6714	-9999.	0.375393E-16
15.9000	-9999.	0.380868E-16
16.1000	-9999.	0.611915E-14
16.1825	-9999.	0.392474E-12
16.4442	-9999.	0.185104E-06
16.7102	-9999.	0.873013E-01
16.9805	-9999.	0.960229	
17.2551	-9999.	0.931364	
17.5342	-9999.	0.903367	
17.8178	-9999.	0.876211	
18.1060	-9999.	0.849873	
18.3989	-9999.	0.824325	
18.6964	-9999.	0.799546	
18.9988	-9999.	0.775511	
19.3061	-9999.	0.752199	
19.6184	-9999.	0.729131	
19.9357	-9999.	0.705642	
20.2582	-9999.	0.682908	
20.5858	-9999.	0.660907	
20.9188	-9999.	0.639615	
21.2571	-9999.	0.619009	
21.6009	-9999.	0.599067	
21.9503	-9999.	0.579767	
22.3053	-9999.	0.561089	
22.6661	-9999.	0.543013	
23.0327	-9999.	0.525519	
23.4053	-9999.	0.508588	
23.7838	-9999.	0.492203	
24.1685	-9999.	0.476347	
24.5594	-9999.	0.460795	
24.9566	-9999.	0.445595	
25.3603	-9999.	0.430897	
25.7705	-9999.	0.416683	
26.1873	-9999.	0.402938	
26.6109	-9999.	0.389647	
27.0413	-9999.	0.376794	
27.4786	-9999.	0.364365	
27.9231	-9999.	0.352346	
28.3747	-9999.	0.340723	
28.8337	-9999.	0.329484	
29.3000	1.07342	0.318616	
29.7739	1.07482	0.308106	
30.2555	1.07577	0.298515	
30.7449	1.07696	0.289718	
31.2421	1.07825	0.281082	
31.7475	1.07940	0.272600	
32.2609	1.08039	0.264377	
32.7827	1.08123	0.256403	
33.3130	1.08195	0.248667	
33.8518	1.08254	0.241163	
34.3993	1.08300	0.233886	
34.9557	1.08337	0.226829	
35.5211	1.08362	0.219960	
36.0956	1.08376	0.213297	
36.6794	1.08380	0.206836	
37.2727	1.08375	0.200567	
37.8755	1.08362	0.194485	
38.4882	1.08341	0.188585	
39.1107	1.08312	0.182864	
39.7432	1.08278	0.177319	
40.3861	1.08238	0.171944	
41.0393	1.08198	0.166725	
41.7031	1.08151	0.161576	
42.3776	1.08094	0.156586	
43.0630	1.08032	0.151750	
43.7595	1.07964	0.147051	
44.4673	1.07892	0.142495	
45.1865	1.07815	0.138078	
45.9174	1.07735	0.133798	
46.6600	1.07651	0.129650	
47.4147	1.07564	0.125634	
48.1816	1.07476	0.121741	
48.9609	1.07386	0.117960	
49.7528	1.07294	0.114297	
50.5576	1.07201	0.110729	
51.3753	1.07105	0.107265	
52.2062	1.07008	0.103910	
53.0506	1.06908	0.100659	
53.9087	1.06808	0.975106E-01
54.7806	1.06708	0.944602E-01
55.6667	1.06607	0.915051E-01
56.5670	1.06505	0.886427E-01
57.4820	1.06404	0.858697E-01
58.4117	1.06302	0.831839E-01
59.3564	1.06202	0.805822E-01
60.3165	1.06102	0.780614E-01
61.2921	1.06005	0.756082E-01
62.2834	1.05907	0.732062E-01
63.2908	1.05809	0.708702E-01
64.3145	1.05711	0.685836E-01
65.3547	1.05611	0.663707E-01
66.4118	1.05511	0.642289E-01
67.4859	1.05411	0.621564E-01
68.5775	1.05312	0.601513E-01
69.6867	1.05213	0.582104E-01
70.8138	1.05114	0.563323E-01
71.9591	1.05017	0.545150E-01
73.1230	1.04920	0.527566E-01
74.3057	1.04825	0.510546E-01
75.5076	1.04730	0.494071E-01
76.7289	1.04637	0.478129E-01
77.9699	1.04544	0.462703E-01
79.2310	1.04453	0.447771E-01
80.5125	1.04364	0.433320E-01
81.8147	1.04276	0.419309E-01
83.1380	1.04190	0.405709E-01
84.4827	1.04105	0.392348E-01
85.8491	1.04020	0.379426E-01
87.2377	1.03936	0.366920E-01
88.6487	1.03853	0.354828E-01
90.0825	1.03770	0.343137E-01
91.5395	1.03689	0.331831E-01
93.0201	1.03609	0.320897E-01
94.5246	1.03531	0.310324E-01
96.0535	1.03453	0.300101E-01
97.6071	1.03377	0.290214E-01
99.1858	1.03302	0.280652E-01
100.790	1.03229	0.271368E-01
102.420	1.03156	0.262374E-01
104.077	1.03085	0.253737E-01
105.760	1.03015	0.245376E-01
107.471	1.02946	0.237290E-01
109.209	1.02879	0.229472E-01
110.975	1.02813	0.221911E-01
112.770	1.02749	0.214598E-01
114.594	1.02685	0.207528E-01
116.448	1.02623	0.200690E-01
118.331	1.02562	0.194077E-01
120.245	1.02503	0.187681E-01
122.190	1.02445	0.181496E-01
124.166	1.02389	0.175503E-01
126.175	1.02334	0.169580E-01
128.215	1.02279	0.163857E-01
130.289	1.02225	0.158328E-01
132.397	1.02172	0.152983E-01
134.538	1.02120	0.147820E-01
136.714	1.02069	0.142832E-01
138.925	1.02019	0.138012E-01
141.172	1.01970	0.133353E-01
143.456	1.01923	0.128851E-01
145.776	1.01876	0.124503E-01
148.134	1.01830	0.120301E-01
150.530	1.01785	0.116240E-01
152.964	1.01741	0.112318E-01
155.439	1.01698	0.108526E-01
157.953	1.01657	0.104863E-01
160.507	1.01616	0.101325E-01
163.103	1.01576	0.978989E-02
165.742	1.01537	0.945798E-02
168.422	1.01499	0.913121E-02
171.146	1.01462	0.881506E-02
173.915	1.01425	0.850979E-02
176.727	1.01390	0.821516E-02
179.586	1.01354	0.793080E-02
182.491	1.01320	0.765630E-02
185.442	1.01286	0.739119E-02
188.442	1.01253	0.713519E-02
191.489	1.01221	0.688805E-02
194.587	1.01190	0.664962E-02
197.734	1.01159	0.641948E-02
200.932	1.01129	0.619731E-02
204.182	1.01100	0.598257E-02
207.485	1.01071	0.577539E-02
210.840	1.01043	0.557553E-02
214.251	1.01016	0.538225E-02
217.716	1.00989	0.519584E-02
221.237	1.00963	0.501608E-02
224.816	1.00938	0.484241E-02
228.452	1.00913	0.467475E-02
232.147	1.00889	0.451287E-02
235.902	1.00866	0.435661E-02
239.717	1.00843	0.420577E-02
243.595	1.00821	0.406014E-02
247.535	1.00799	0.391955E-02
251.538	1.00777	0.378382E-02
255.607	1.00757	0.365277E-02
259.741	1.00737	0.352625E-02
263.942	1.00717	0.340413E-02
268.211	1.00698	0.328624E-02
272.549	1.00679	0.317240E-02
276.957	1.00661	0.306252E-02
281.437	1.00643	0.295645E-02
285.989	1.00626	0.285407E-02
290.615	1.00609	0.275523E-02
295.315	1.00592	0.265984E-02
300.092	1.00577	0.256773E-02
304.945	1.00561	0.247864E-02
309.878	1.00546	0.239241E-02
314.890	1.00531	0.230717E-02
319.983	1.00517	0.222440E-02
325.158	1.00503	0.214460E-02
330.418	1.00489	0.206767E-02
335.762	1.00476	0.199351E-02
341.192	1.00463	0.192206E-02
346.711	1.00450	0.185312E-02
352.319	1.00438	0.178664E-02
358.017	1.00426	0.172253E-02
363.808	1.00414	0.166075E-02
369.692	1.00402	0.160119E-02
375.672	1.00391	0.154377E-02
381.748	1.00380	0.148837E-02
387.922	1.00370	0.143498E-02
394.197	1.00359	0.138356E-02
400.573	1.00349	0.133393E-02
407.052	1.00340	0.128607E-02
413.635	1.00330	0.123994E-02
420.326	1.00321	0.119547E-02
427.124	1.00312	0.115259E-02
434.032	1.00303	0.111124E-02
441.052	1.00294	0.107134E-02
448.186	1.00286	0.103287E-02
455.435	1.00278	0.995812E-03
462.802	1.00270	0.960079E-03
470.287	1.00262	0.925627E-03
477.894	1.00255	0.892416E-03
485.623	1.00248	0.860393E-03
493.478	1.00241	0.829518E-03
501.459	1.00234	0.799751E-03
509.570	1.00227	0.771052E-03
517.812	1.00221	0.743383E-03
526.187	1.00214	0.716714E-03
534.698	1.00208	0.690999E-03
543.346	1.00202	0.666203E-03
552.134	1.00196	0.642299E-03
561.065	1.00191	0.619249E-03
570.139	1.00185	0.597026E-03
579.361	1.00180	0.575597E-03
588.732	1.00175	0.554945E-03
598.254	1.00170	0.535035E-03
607.930	1.00165	0.515832E-03
617.763	1.00160	0.497219E-03
627.755	1.00155	0.479195E-03
637.908	1.00151	0.461657E-03
648.226	1.00146	0.444758E-03
658.711	1.00142	0.428477E-03
669.365	1.00138	0.412792E-03
680.191	1.00134	0.397680E-03
691.193	1.00130	0.383120E-03
702.372	1.00126	0.369094E-03
713.733	1.00122	0.355582E-03
725.277	1.00119	0.342565E-03
737.008	1.00115	0.330026E-03
748.928	1.00112	0.317945E-03
761.042	1.00109	0.306305E-03
773.351	1.00105	0.295082E-03
785.859	1.00102	0.284275E-03
798.570	1.00099	0.273869E-03
811.486	1.00096	0.263852E-03
824.611	1.00093	0.254197E-03
837.949	1.00091	0.244890E-03
851.502	1.00088	0.235924E-03
865.274	1.00085	0.227288E-03
879.269	1.00083	0.218969E-03
893.491	1.00080	0.210948E-03
907.943	1.00078	0.203223E-03
922.628	1.00075	0.195782E-03
937.551	1.00073	0.188614E-03
952.715	1.00071	0.181709E-03
968.124	1.00069	0.175057E-03
983.783	1.00067	0.168649E-03
999.695	1.00065	0.162475E-03
1015.86	1.00063	0.156527E-03
1032.29	1.00061	0.150796E-03
1048.99	1.00059	0.145275E-03
1065.96	1.00057	0.139956E-03
1083.20	1.00055	0.134833E-03
1100.72	1.00054	0.129897E-03
1118.52	1.00052	0.125140E-03
1136.61	1.00050	0.120559E-03
1155.	1.00049	0.116145E-03
1173.68	1.00047	0.111894E-03
1192.66	1.00046	0.107798E-03
1211.95	1.00044	0.103851E-03
1231.55	1.00043	0.100048E-03
1251.47	1.00042	0.963431E-04
1271.72	1.00040	0.927658E-04
1292.29	1.00039	0.893136E-04
1313.19	1.00038	0.859897E-04
1334.43	1.00037	0.827890E-04
1356.01	1.00035	0.797065E-04
1377.94	1.00034	0.767399E-04
1400.23	1.00033	0.738845E-04
1422.88	1.00032	0.711367E-04
1445.89	1.00031	0.684890E-04
1469.28	1.00030	0.659394E-04
1493.04	1.00029	0.634846E-04
1517.19	1.00028	0.611222E-04
1541.73	1.00027	0.588497E-04
1566.67	1.00026	0.566648E-04
1592.01	1.00025	0.545650E-04
1617.76	1.00025	0.525439E-04
1643.92	1.00024	0.505984E-04
1670.51	1.00023	0.487229E-04
1697.53	1.00022	0.469171E-04
1724.99	1.00021	0.451791E-04
1752.89	1.00021	0.434988E-04
1781.24	1.00020	0.418788E-04
1810.05	1.00019	0.403175E-04
1839.32	1.00019	0.388144E-04
1869.07	1.00018	0.373672E-04
1899.30	1.00017	0.359738E-04
1930.02	1.00017	0.346325E-04
1961.24	1.00016	0.333413E-04
1992.96	1.00016	0.320983E-04
2025.20	1.00015	0.309117E-04
2057.95	1.00015	0.297548E-04
2091.24	1.00014	0.286399E-04
2125.06	1.00014	0.275656E-04
2159.43	1.00013	0.265311E-04
2194.36	1.00013	0.255340E-04
2229.85	1.00012	0.245737E-04
2265.92	1.00012	0.236488E-04
2302.57	1.00011	0.227578E-04
2339.81	1.00011	0.218996E-04
2377.66	1.00010	0.210728E-04
2416.11	1.00010	0.202763E-04
2455.19	1.00010	0.195099E-04
2494.90	1.00009	0.187711E-04
2535.26	1.00009	0.180601E-04
2576.26	1.00008	0.173752E-04
2617.93	1.00008	0.167157E-04
2660.27	1.00008	0.160808E-04
2703.30	1.00007	0.154691E-04
2747.03	1.00007	0.148806E-04
2791.46	1.00007	0.143137E-04
2836.61	1.00007	0.137685E-04
2882.49	1.00006	0.132435E-04
2929.11	1.00006	0.127377E-04
2976.48	1.00006	0.122510E-04
3024.63	1.00005	0.117831E-04
3073.55	1.00005	0.113326E-04
3123.26	1.00005	0.108987E-04
3173.78	1.00005	0.104815E-04
3225.11	1.00005	0.100803E-04
3277.27	1.00004	0.969407E-05
3330.28	1.00004	0.932280E-05
3384.15	1.00004	0.896570E-05
3438.88	1.00004	0.862159E-05
3494.50	1.00003	0.829117E-05
3551.02	1.00003	0.797348E-05
3608.46	1.00003	0.766792E-05
3666.82	1.00003	0.737417E-05
3726.13	1.00003	0.709177E-05
3786.40	1.00003	0.682040E-05
3847.64	1.00002	0.655955E-05
3909.87	1.00002	0.630887E-05
3973.11	1.00002	0.606802E-05
4037.38	1.00002	0.583417E-05
4102.68	1.00002	0.561182E-05
4169.03	1.00002	0.539804E-05
4236.46	1.00001	0.519262E-05
4304.98	1.00001	0.499505E-05
4374.62	1.00001	0.480512E-05
4445.37	1.00001	0.462252E-05
4517.27	1.00001	0.444693E-05
4590.33	1.00001	0.427824E-05
4664.58	1.00001	0.411592E-05
4740.03	1.00001	0.395980E-05
4816.69	1.00001	0.380971E-05
4894.60	1.00000	0.366534E-05
4973.77	1.00000	0.352656E-05
5054.21	1.00000	0.339308E-05
5135.96	1.00000	0.326467E-05
5219.03	1.00000	0.314122E-05
5303.44	1.00000	0.302240E-05
5389.22	0.999999	0.290811E-05
5476.39	0.999998	0.279820E-05
5564.97	0.999997	0.269252E-05
5654.98	0.999996	0.259080E-05
5746.44	0.999995	0.249292E-05
5839.39	0.999995	0.239878E-05
5933.83	0.999994	0.230825E-05
6029.81	0.999993	0.222111E-05
6127.33	0.999993	0.213725E-05
6226.44	0.999992	0.205662E-05
6327.15	0.999991	0.197895E-05
6429.48	0.999991	0.190427E-05
6533.48	0.999990	0.183248E-05
6639.15	0.999990	0.176329E-05
6746.54	0.999989	0.169670E-05
6855.65	0.999988	0.163268E-05
6966.54	0.999988	0.157105E-05
7079.22	0.999987	0.151173E-05
7193.72	0.999987	0.145464E-05
7310.07	0.999986	0.139970E-05
7428.31	0.999986	0.134683E-05
7548.45	0.999985	0.129594E-05
7670.54	0.999985	0.124696E-05
7794.61	0.999985	0.119981E-05
7920.68	0.999984	0.115443E-05
8048.79	0.999984	0.111076E-05
8178.98	0.999983	0.106872E-05
8311.26	0.999983	0.102826E-05
8445.69	0.999983	0.989303E-06
8582.29	0.999982	0.951814E-06
8721.11	0.999982	0.915734E-06
8862.16	0.999982	0.880992E-06
9005.50	0.999981	0.847563E-06
9151.16	0.999981	0.815359E-06
9299.17	0.999981	0.784388E-06
9449.58	0.999980	0.754553E-06
9602.42	0.999980	0.725847E-06
9757.73	0.999980	0.698223E-06
9915.55	0.999980	0.671626E-06
10075.9	0.999979	0.646075E-06
10238.9	0.999979	0.621481E-06
10404.5	0.999979	0.597806E-06
10572.8	0.999979	0.575016E-06
10743.8	0.999978	0.553081E-06
10917.6	0.999978	0.531965E-06
11094.2	0.999978	0.511641E-06
11273.6	0.999978	0.492077E-06
11455.9	0.999978	0.473248E-06
11641.2	0.999977	0.455123E-06
11829.5	0.999977	0.437678E-06
12020.8	0.999977	0.420889E-06
12215.3	0.999977	0.404728E-06
12412.8	0.999977	0.389176E-06
12613.6	0.999977	0.374207E-06
12817.6	0.999976	0.359802E-06
13025.0	0.999976	0.345939E-06
13235.6	0.999976	0.332598E-06
13449.7	0.999976	0.319760E-06
13667.2	0.999976	0.307406E-06
13888.3	0.999976	0.295519E-06
14112.9	0.999975	0.284081E-06
14341.2	0.999975	0.273076E-06
14573.1	0.999975	0.262488E-06
14808.9	0.999975	0.252302E-06
15048.4	0.999975	0.242502E-06
15291.8	0.999975	0.233075E-06
15539.1	0.999975	0.224007E-06
15790.4	0.999975	0.215284E-06
16045.8	0.999974	0.206894E-06
16305.4	0.999974	0.198825E-06
16569.1	0.999974	0.191065E-06
16837.1	0.999974	0.183603E-06
17109.4	0.999974	0.176428E-06
17386.1	0.999974	0.169528E-06
17667.4	0.999974	0.162895E-06
17953.1	0.999974	0.156518E-06
18243.5	0.999974	0.150387E-06
18538.6	0.999974	0.144495E-06
18838.4	0.999974	0.138831E-06
19143.1	0.999974	0.133389E-06
19452.7	0.999974	0.128159E-06
19767.4	0.999973	0.123133E-06
20087.1	0.999973	0.118381E-06
20412.0	0.999973	0.113744E-06
20742.1	0.999973	0.109292E-06
21077.6	0.999973	0.105019E-06
21418.5	0.999973	0.100917E-06
21765.0	0.999973	0.969783E-07
22117.0	0.999973	0.931972E-07
22474.7	0.999973	0.895669E-07
22838.2	0.999973	0.860810E-07
23207.6	0.999973	0.827338E-07
23583.0	0.999973	0.795195E-07
23964.4	0.999973	0.764328E-07
24352.0	0.999973	0.734683E-07
24745.9	0.999973	0.706213E-07
25146.2	0.999973	0.678867E-07
25552.9	0.999973	0.652602E-07
25966.2	0.999973	0.627372E-07
26386.1	0.999972	0.603136E-07
26812.9	0.999972	0.579854E-07
27246.6	0.999972	0.557487E-07
27687.3	0.999972	0.535999E-07
28135.1	0.999972	0.515352E-07
28590.2	0.999972	0.495516E-07
29052.6	0.999972	0.476455E-07
29522.5	0.999972	0.458139E-07
30000.0	0.999972	0.440539E-07