li.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.	0.116418	
10.1617	-9999.	0.117427	
10.3261	-9999.	0.118445	
10.4931	-9999.	0.119472	
10.6628	-9999.	0.120508	
10.8353	-9999.	0.121552	
11.0106	-9999.	0.122606	
11.1886	-9999.	0.123668	
11.3696	-9999.	0.124440	
11.5535	-9999.	0.125017	
11.7404	-9999.	0.125598	
11.9303	-9999.	0.126181	
12.1232	-9999.	0.126767	
12.3193	-9999.	0.127356	
12.5186	-9999.	0.127947	
12.7210	-9999.	0.128541	
12.9268	-9999.	0.129138	
13.1359	-9999.	0.129738	
13.3483	-9999.	0.130340	
13.5642	-9999.	0.130945	
13.7836	-9999.	0.131550	
14.0066	-9999.	0.132137	
14.2331	-9999.	0.132727	
14.4633	-9999.	0.133319	
14.6973	-9999.	0.133914	
14.9350	-9999.	0.134512	
15.1765	-9999.	0.135113	
15.4220	-9999.	0.135716	
15.6714	-9999.	0.136322	
15.9249	-9999.	0.136930	
16.1825	-9999.	0.137541	
16.4442	-9999.	0.138155	
16.7102	-9999.	0.138772	
16.9805	-9999.	0.139071	
17.2551	-9999.	0.138903	
17.5342	-9999.	0.138735	
17.8178	-9999.	0.138567	
18.1060	-9999.	0.138399	
18.3989	-9999.	0.138232	
18.6964	-9999.	0.138065	
18.9988	-9999.	0.137898	
19.3061	-9999.	0.137709	
19.6184	-9999.	0.137514	
19.9357	-9999.	0.137318	
20.2582	-9999.	0.137123	
20.5858	-9999.	0.136928	
20.9188	-9999.	0.136733	
21.2571	-9999.	0.136539	
21.6009	-9999.	0.136345	
21.9503	-9999.	0.136151	
22.3053	-9999.	0.135586	
22.6661	-9999.	0.134963	
23.0327	-9999.	0.134343	
23.4053	-9999.	0.133726	
23.7838	-9999.	0.133111	
24.1685	-9999.	0.132500	
24.5594	-9999.	0.131891	
24.9566	-9999.	0.131285	
25.3603	-9999.	0.130681	
25.7705	-9999.	0.130081	
26.1873	-9999.	0.129483	
26.6109	-9999.	0.128888	
27.0413	-9999.	0.127621	
27.4786	-9999.	0.125603	
27.9231	-9999.	0.123616	
28.3747	-9999.	0.121662	
28.8337	-9999.	0.119738	
29.3000	0.680884	0.117845	
29.7739	0.672057	0.115981	
30.2555	0.662457	0.114147	
30.7449	0.652204	0.112619	
31.2421	0.641495	0.111196	
31.7475	0.630185	0.109791	
32.2609	0.618217	0.108404	
32.7827	0.605541	0.107034	
33.3130	0.592108	0.105682	
33.8518	0.577867	0.104347	
34.3993	0.562767	0.103028	
34.9557	0.546756	0.101727	
35.5211	0.529790	0.100441	
36.0956	0.511913	0.991722E-01
36.6794	0.492899	0.974117E-01
37.2727	0.472300	0.955735E-01
37.8755	0.450106	0.937699E-01
38.4882	0.426271	0.920004E-01
39.1107	0.400660	0.902642E-01
39.7432	0.373113	0.885608E-01
40.3861	0.343436	0.868896E-01
41.0393	0.311403	0.852499E-01
41.7031	0.276728	0.836412E-01
42.3776	0.239096	0.820959E-01
43.0630	0.198182	0.806583E-01
43.7595	0.153553	0.792460E-01
44.4673	0.104628	0.778582E-01
45.1865	0.507173E-01	0.764948E-01
45.9174	-0.904566E-02	0.751554E-01
46.6600	-0.757630E-01	0.738393E-01
47.4147	-0.150875	0.725463E-01
48.1816	-0.236314	0.712759E-01
48.9609	-0.334760	0.700278E-01
49.7528	-0.450076	0.688015E-01
50.5576	-0.588230	0.674866E-01
51.3753	-0.759145	0.661458E-01
52.2062	-0.981045	0.648315E-01
53.0506	-1.29425	0.636408E-01
53.9087	-1.82877	0.627145E-01
54.6000	-3.20462	0.619885E-01
54.8000	-3.26778	1.99565	
55.6667	-2.01988	2.17298	
56.5670	-1.68391	2.37060	
57.4820	-1.44905	2.58621	
58.4117	-1.20997	2.78791	
59.3564	-0.978073	2.94577	
60.3165	-0.760569	3.08872	
61.2921	-0.542090	3.21499	
62.2834	-0.319116	3.33533	
63.2908	-0.699885E-01	3.44780	
64.3145	0.209528	3.50010	
65.3547	0.490103	3.51380	
66.4118	0.743078	3.44849	
67.4859	0.976848	3.38439	
68.5775	1.16223	3.20844	
69.6867	1.24896	3.07443	
70.8138	1.30607	2.96708	
71.9591	1.34649	2.89749	
73.1230	1.37483	2.82954	
74.3057	1.38674	2.79758	
75.5076	1.40488	2.78483	
76.7289	1.42925	2.79626	
77.9699	1.46026	2.80820	
79.2310	1.49817	2.85028	
80.5125	1.56749	2.89349	
81.8147	1.65297	2.93282	
83.1380	1.74778	2.95689	
84.4827	1.84633	2.98116	
85.8491	1.96188	3.00563	
87.2377	2.09531	3.01725	
88.6487	2.24307	3.00041	
90.0825	2.39000	2.95722	
91.5395	2.53184	2.88927	
93.0201	2.64865	2.77915	
94.5246	2.72433	2.68556	
96.0535	2.79740	2.59906	
97.6071	2.85171	2.48846	
99.1858	2.87356	2.39352	
100.790	2.92523	2.36108	
102.420	2.97852	2.23552	
104.077	2.97334	2.17080	
105.760	2.98478	2.10776	
107.471	2.99098	2.05038	
109.209	2.99580	2.00447	
110.975	3.00520	1.96700	
112.770	3.02065	1.93440	
114.594	3.04395	1.90000	
116.448	3.06819	1.85974	
118.331	3.08790	1.81856	
120.245	3.10614	1.77829	
122.190	3.12324	1.73891	
124.166	3.13943	1.70040	
126.175	3.15484	1.66274	
128.215	3.16966	1.62592	
130.289	3.18417	1.58989	
132.397	3.19888	1.55441	
134.538	3.21330	1.51713	
136.714	3.22540	1.47975	
138.925	3.23556	1.44328	
141.172	3.24442	1.40771	
143.456	3.25202	1.37302	
145.776	3.25797	1.33918	
148.134	3.26235	1.30831	
150.530	3.26778	1.28017	
152.964	3.27528	1.25177	
155.439	3.28270	1.22254	
157.953	3.28877	1.19295	
160.507	3.29388	1.16408	
163.103	3.29834	1.13591	
165.742	3.30227	1.10842	
168.422	3.30557	1.08158	
171.146	3.30839	1.05569	
173.915	3.31098	1.03081	
176.727	3.31372	1.00703	
179.586	3.31737	0.983784	
182.491	3.32179	0.960465	
185.442	3.32594	0.934802	
188.442	3.32824	0.909232	
191.489	3.32851	0.884027	
194.587	3.32778	0.861010	
197.734	3.32732	0.839043	
200.932	3.32690	0.817994	
204.182	3.32669	0.797466	
207.485	3.32652	0.777459	
210.840	3.32698	0.757960	
214.251	3.32750	0.737532	
217.716	3.32695	0.717367	
221.237	3.32594	0.697533	
224.816	3.32445	0.678251	
228.452	3.32265	0.659499	
232.147	3.32059	0.641261	
235.902	3.31831	0.623542	
239.717	3.31587	0.606309	
243.595	3.31327	0.589546	
247.535	3.31055	0.573246	
251.538	3.30771	0.557394	
255.607	3.30479	0.541978	
259.741	3.30180	0.527003	
263.942	3.29878	0.512429	
268.211	3.29574	0.498243	
272.549	3.29282	0.484490	
276.957	3.29002	0.470846	
281.437	3.28707	0.457242	
285.989	3.28389	0.443849	
290.615	3.28043	0.430821	
295.315	3.27686	0.418174	
300.092	3.27318	0.405896	
304.945	3.26943	0.393981	
309.878	3.26563	0.382416	
314.890	3.26179	0.371191	
319.983	3.25793	0.360294	
325.158	3.25404	0.349719	
330.418	3.25015	0.339453	
335.762	3.24626	0.329488	
341.192	3.24237	0.319816	
346.711	3.23850	0.310428	
352.319	3.23464	0.301315	
358.017	3.23082	0.292473	
363.808	3.22703	0.283888	
369.692	3.22328	0.275554	
375.672	3.21959	0.267464	
381.748	3.21599	0.259613	
387.922	3.21253	0.251897	
394.197	3.20905	0.244208	
400.573	3.20547	0.236732	
407.052	3.20187	0.229475	
413.635	3.19827	0.222436	
420.326	3.19469	0.215618	
427.124	3.19113	0.209010	
434.032	3.18762	0.202601	
441.052	3.18416	0.196389	
448.186	3.18077	0.190350	
455.435	3.17744	0.184411	
462.802	3.17411	0.178594	
470.287	3.17076	0.172928	
477.894	3.16740	0.167439	
485.623	3.16407	0.162127	
493.478	3.16076	0.156984	
501.459	3.15749	0.152005	
509.570	3.15424	0.147184	
517.812	3.15103	0.142522	
526.187	3.14785	0.138026	
534.698	3.14473	0.133710	
543.346	3.14169	0.129547	
552.134	3.13876	0.125509	
561.065	3.13591	0.121508	
570.139	3.13303	0.117597	
579.361	3.13018	0.113829	
588.732	3.12737	0.110194	
598.254	3.12462	0.106681	
607.930	3.12192	0.103275	
617.763	3.11929	0.999807E-01
627.755	3.11676	0.967852E-01
637.908	3.11431	0.935986E-01
648.226	3.11187	0.903850E-01
658.711	3.10934	0.871976E-01
669.365	3.10662	0.841223E-01
680.191	3.10384	0.814099E-01
691.193	3.10129	0.789774E-01
702.372	3.09896	0.766669E-01
713.733	3.09682	0.742675E-01
725.277	3.09467	0.718383E-01
737.008	3.09249	0.694890E-01
748.928	3.09035	0.672168E-01
761.042	3.08825	0.650189E-01
773.351	3.08618	0.628898E-01
785.859	3.08416	0.608226E-01
798.570	3.08217	0.588170E-01
811.486	3.08021	0.568785E-01
824.611	3.07829	0.550035E-01
837.949	3.07640	0.531901E-01
851.502	3.07455	0.514403E-01
865.274	3.07274	0.497524E-01
879.269	3.07097	0.481237E-01
893.491	3.06925	0.465489E-01
907.943	3.06756	0.450255E-01
922.628	3.06592	0.435519E-01
937.551	3.06432	0.421079E-01
952.715	3.06274	0.407079E-01
968.124	3.06119	0.393511E-01
983.783	3.05967	0.380389E-01
999.695	3.05818	0.367729E-01
1015.86	3.05671	0.355517E-01
1032.29	3.05528	0.343936E-01
1048.99	3.05390	0.332643E-01
1065.96	3.05256	0.321625E-01
1083.20	3.05123	0.310974E-01
1100.72	3.04994	0.300677E-01
1118.52	3.04868	0.290722E-01
1136.61	3.04745	0.281097E-01
1155.	3.04624	0.271788E-01
1173.68	3.04507	0.262784E-01
1192.66	3.04392	0.254085E-01
1211.95	3.04280	0.245671E-01
1231.55	3.04172	0.237533E-01
1251.47	3.04066	0.229618E-01
1271.72	3.03963	0.221907E-01
1292.29	3.03862	0.214382E-01
1313.19	3.03762	0.207116E-01
1334.43	3.03665	0.200097E-01
1356.01	3.03570	0.193314E-01
1377.94	3.03477	0.186762E-01
1400.23	3.03387	0.180431E-01
1422.88	3.03298	0.174315E-01
1445.89	3.03212	0.168406E-01
1469.28	3.03128	0.162689E-01
1493.04	3.03047	0.157153E-01
1517.19	3.02967	0.151752E-01
1541.73	3.02889	0.146530E-01
1566.67	3.02812	0.141488E-01
1592.01	3.02737	0.136619E-01
1617.76	3.02664	0.131917E-01
1643.92	3.02593	0.127378E-01
1670.51	3.02524	0.122994E-01
1697.53	3.02456	0.118761E-01
1724.99	3.02391	0.114673E-01
1752.89	3.02327	0.110671E-01
1781.24	3.02264	0.106790E-01
1810.05	3.02202	0.103031E-01
1839.32	3.02142	0.994046E-02
1869.07	3.02083	0.959413E-02
1899.30	3.02025	0.926777E-02
1930.02	3.01969	0.895249E-02
1961.24	3.01915	0.864796E-02
1992.96	3.01863	0.835378E-02
2025.20	3.01811	0.806960E-02
2057.95	3.01761	0.779510E-02
2091.24	3.01713	0.752992E-02
2125.06	3.01666	0.727378E-02
2159.43	3.01620	0.702633E-02
2194.36	3.01575	0.678732E-02
2229.85	3.01532	0.655644E-02
2265.92	3.01490	0.633340E-02
2302.57	3.01449	0.611795E-02
2339.81	3.01409	0.590983E-02
2377.66	3.01370	0.570880E-02
2416.11	3.01333	0.551262E-02
2455.19	3.01297	0.531145E-02
2494.90	3.01262	0.511762E-02
2535.26	3.01226	0.493087E-02
2576.26	3.01192	0.475093E-02
2617.93	3.01159	0.457755E-02
2660.27	3.01126	0.441008E-02
2703.30	3.01094	0.424784E-02
2747.03	3.01063	0.409159E-02
2791.46	3.01033	0.394107E-02
2836.61	3.01003	0.379610E-02
2882.49	3.00974	0.365646E-02
2929.11	3.00946	0.352145E-02
2976.48	3.00919	0.339096E-02
3024.63	3.00892	0.326531E-02
3073.55	3.00866	0.314430E-02
3123.26	3.00841	0.302778E-02
3173.78	3.00816	0.291558E-02
3225.11	3.00792	0.280726E-02
3277.27	3.00769	0.270283E-02
3330.28	3.00746	0.260229E-02
3384.15	3.00724	0.250549E-02
3438.88	3.00702	0.241229E-02
3494.50	3.00681	0.232255E-02
3551.02	3.00661	0.223631E-02
3608.46	3.00641	0.215327E-02
3666.82	3.00621	0.207333E-02
3726.13	3.00602	0.199635E-02
3786.40	3.00584	0.192222E-02
3847.64	3.00566	0.185088E-02
3909.87	3.00549	0.178266E-02
3973.11	3.00532	0.171696E-02
4037.38	3.00515	0.165368E-02
4102.68	3.00499	0.159274E-02
4169.03	3.00484	0.153404E-02
4236.46	3.00469	0.147754E-02
4304.98	3.00454	0.142325E-02
4374.62	3.00440	0.137097E-02
4445.37	3.00426	0.132060E-02
4517.27	3.00413	0.127208E-02
4590.33	3.00399	0.122534E-02
4664.58	3.00387	0.118039E-02
4740.03	3.00374	0.113717E-02
4816.69	3.00362	0.109554E-02
4894.60	3.00351	0.105543E-02
4973.77	3.00339	0.101679E-02
5054.21	3.00328	0.979567E-03
5135.96	3.00318	0.943747E-03
5219.03	3.00307	0.909264E-03
5303.44	3.00297	0.876043E-03
5389.22	3.00287	0.844037E-03
5476.39	3.00278	0.813196E-03
5564.97	3.00269	0.783486E-03
5654.98	3.00260	0.754904E-03
5746.44	3.00251	0.727378E-03
5839.39	3.00242	0.700857E-03
5933.83	3.00234	0.675300E-03
6029.81	3.00226	0.650677E-03
6127.33	3.00218	0.626951E-03
6226.44	3.00211	0.604111E-03
6327.15	3.00203	0.582105E-03
6429.48	3.00196	0.560900E-03
6533.48	3.00189	0.540466E-03
6639.15	3.00183	0.520778E-03
6746.54	3.00176	0.501809E-03
6855.65	3.00170	0.483540E-03
6966.54	3.00164	0.465936E-03
7079.22	3.00158	0.448971E-03
7193.72	3.00152	0.432626E-03
7310.07	3.00146	0.416874E-03
7428.31	3.00141	0.401695E-03
7548.45	3.00136	0.387063E-03
7670.54	3.00130	0.372963E-03
7794.61	3.00125	0.359378E-03
7920.68	3.00121	0.346287E-03
8048.79	3.00116	0.333673E-03
8178.98	3.00111	0.321512E-03
8311.26	3.00107	0.309790E-03
8445.69	3.00103	0.298496E-03
8582.29	3.00098	0.287612E-03
8721.11	3.00094	0.277127E-03
8862.16	3.00090	0.267023E-03
9005.50	3.00087	0.257276E-03
9151.16	3.00083	0.247879E-03
9299.17	3.00079	0.238826E-03
9449.58	3.00076	0.230102E-03
9602.42	3.00072	0.221698E-03
9757.73	3.00069	0.213601E-03
9915.55	3.00066	0.205779E-03
10075.9	3.00063	0.198251E-03
10238.9	3.00060	0.190995E-03
10404.5	3.00057	0.184002E-03
10572.8	3.00054	0.177261E-03
10743.8	3.00051	0.170764E-03
10917.6	3.00048	0.164502E-03
11094.2	3.00046	0.158467E-03
11273.6	3.00043	0.152651E-03
11455.9	3.00041	0.147044E-03
11641.2	3.00039	0.141641E-03
11829.5	3.00036	0.136434E-03
12020.8	3.00034	0.131415E-03
12215.3	3.00032	0.126578E-03
12412.8	3.00030	0.121916E-03
12613.6	3.00028	0.117424E-03
12817.6	3.00026	0.113094E-03
13025.0	3.00024	0.108922E-03
13235.6	3.00022	0.104901E-03
13449.7	3.00020	0.101026E-03
13667.2	3.00018	0.972922E-04
13888.3	3.00017	0.936942E-04
14112.9	3.00015	0.902272E-04
14341.2	3.00013	0.868865E-04
14573.1	3.00012	0.836676E-04
14808.9	3.00010	0.805662E-04
15048.4	3.00009	0.775780E-04
15291.8	3.00007	0.746991E-04
15539.1	3.00006	0.719256E-04
15790.4	3.00005	0.692535E-04
16045.8	3.00003	0.666795E-04
16305.4	3.00002	0.641998E-04
16569.1	3.00001	0.618114E-04
16837.1	3.00000	0.595107E-04
17109.4	2.99998	0.572949E-04
17386.1	2.99997	0.551607E-04
17667.4	2.99996	0.531053E-04
17953.1	2.99995	0.511259E-04
18243.5	2.99994	0.492198E-04
18538.6	2.99993	0.473844E-04
18838.4	2.99992	0.456171E-04
19143.1	2.99991	0.439156E-04
19452.7	2.99990	0.422775E-04
19767.4	2.99989	0.407005E-04
20087.1	2.99989	0.390553E-04
20412.0	2.99988	0.375510E-04
20742.1	2.99987	0.361054E-04
21077.6	2.99986	0.347159E-04
21418.5	2.99985	0.333804E-04
21765.0	2.99985	0.320968E-04
22117.0	2.99984	0.308630E-04
22474.7	2.99983	0.296771E-04
22838.2	2.99983	0.285370E-04
23207.6	2.99982	0.274411E-04
23583.0	2.99981	0.263875E-04
23964.4	2.99981	0.253747E-04
24352.0	2.99980	0.244010E-04
24745.9	2.99980	0.234648E-04
25146.2	2.99979	0.225648E-04
25552.9	2.99978	0.216994E-04
25966.2	2.99978	0.208674E-04
26386.1	2.99977	0.200674E-04
26812.9	2.99977	0.192981E-04
27246.6	2.99976	0.185584E-04
27687.3	2.99976	0.178472E-04
28135.1	2.99976	0.171632E-04
28590.2	2.99975	0.165056E-04
29052.6	2.99975	0.158731E-04
29522.5	2.99974	0.152649E-04
30000.0	2.99974	0.146800E-04