n.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.	0.677847	
10.1617	-9999.	0.689631	
10.3261	-9999.	0.701620	
10.4931	-9999.	0.713817	
10.6628	-9999.	0.726227	
10.8353	-9999.	0.738852	
11.0106	-9999.	0.751697	
11.1886	-9999.	0.765839	
11.3696	-9999.	0.786026	
11.5535	-9999.	0.806743	
11.7404	-9999.	0.828008	
11.9303	-9999.	0.849833	
12.1232	-9999.	0.872233	
12.3193	-9999.	0.895223	
12.5186	-9999.	0.919280	
12.7210	-9999.	0.954622	
12.9268	-9999.	0.991323	
13.1359	-9999.	1.02943	
13.3483	-9999.	1.06901	
13.5642	-9999.	1.11011	
13.7836	-9999.	1.15279	
14.0066	-9999.	1.22432	
14.2331	-9999.	1.30424	
14.4633	-9999.	1.38938	
14.6973	-9999.	1.48008	
14.9350	-9999.	1.57670	
15.1765	-9999.	1.68655	
15.4220	-9999.	1.80625	
15.6714	-9999.	1.93445	
15.9249	-9999.	2.07175	
16.1825	-9999.	2.21879	
16.4442	-9999.	2.37627	
16.7102	-9999.	2.54492	
16.9805	-9999.	2.68091	
17.2551	-9999.	2.82044	
17.5342	-9999.	2.96724	
17.8178	-9999.	3.12169	
18.1060	-9999.	3.28417	
18.3989	-9999.	3.45511	
18.6964	-9999.	3.63494	
18.9988	-9999.	3.79196	
19.3061	-9999.	3.94069	
19.6184	-9999.	4.09526	
19.9357	-9999.	4.25588	
20.2582	-9999.	4.42281	
20.5858	-9999.	4.54192	
20.9188	-9999.	4.62172	
21.2571	-9999.	4.70292	
21.6009	-9999.	4.78554	
21.9503	-9999.	4.86963	
22.3053	-9999.	4.92315	
22.6661	-9999.	4.94757	
23.0327	-9999.	4.97211	
23.4053	-9999.	4.99678	
23.7838	-9999.	5.02156	
24.1685	-9999.	5.02138	
24.5594	-9999.	4.99215	
24.9566	-9999.	4.96309	
25.3603	-9999.	4.93420	
25.7705	-9999.	4.90547	
26.1873	-9999.	4.87692	
26.6109	-9999.	4.84853	
27.0413	-9999.	4.82030	
27.4786	-9999.	4.77252	
27.9231	-9999.	4.69687	
28.3747	-9999.	4.62241	
28.8337	-9999.	4.54913	
29.3000	3.09670	4.47701	
29.7739	3.18574	4.40604	
30.2555	3.26861	4.33619	
30.7449	3.34589	4.26745	
31.2421	3.41793	4.19980	
31.7475	3.48497	4.13322	
32.2609	3.54521	4.06770	
32.7827	3.60004	4.00711	
33.3130	3.65406	3.95223	
33.8518	3.70766	3.89810	
34.3993	3.75942	3.84471	
34.9557	3.80887	3.79205	
35.5211	3.85551	3.74012	
36.0956	3.89834	3.68889	
36.6794	3.93428	3.63837	
37.2000	3.93988	3.59457	
37.4000	3.95594	3.64104	
37.8755	4.02773	3.60150	
38.4882	4.08710	3.55191	
39.1107	4.13881	3.50300	
39.7432	4.18663	3.45476	
40.3861	4.23179	3.40719	
41.0393	4.27486	3.36027	
41.7031	4.31619	3.31400	
42.3776	4.35601	3.26836	
43.0630	4.39451	3.22336	
43.7595	4.43188	3.17897	
44.4673	4.46832	3.13520	
45.1865	4.50400	3.09203	
45.9174	4.54124	3.04945	
46.6600	4.57806	3.00283	
47.4147	4.61022	2.95442	
48.1816	4.63910	2.90678	
48.9609	4.66531	2.85992	
49.7528	4.68891	2.81381	
50.5576	4.70963	2.76844	
51.3753	4.72672	2.72381	
52.2062	4.73743	2.67989	
53.0506	4.72873	2.63668	
53.9087	4.74381	2.65841	
54.7806	4.79551	2.63101	
55.6667	4.82377	2.59803	
56.5670	4.85174	2.56546	
57.4820	4.87868	2.53328	
58.4117	4.90536	2.50150	
59.3564	4.93244	2.46913	
60.3165	4.95892	2.43557	
61.2921	4.98466	2.40164	
62.2834	5.00922	2.36630	
63.2908	5.03169	2.33146	
64.3145	5.05325	2.29710	
65.3547	5.07398	2.26327	
66.4118	5.09412	2.22997	
67.4859	5.11385	2.19716	
68.5775	5.13350	2.16482	
69.6867	5.15315	2.13196	
70.8138	5.17222	2.09899	
71.9591	5.19044	2.06521	
73.1230	5.20726	2.03172	
74.3057	5.22311	1.99878	
75.5076	5.23827	1.96635	
76.7289	5.25289	1.93446	
77.9699	5.26721	1.90309	
79.2310	5.28116	1.87156	
80.5125	5.29458	1.84053	
81.8147	5.30767	1.80919	
83.1380	5.31977	1.77788	
84.4827	5.33090	1.74711	
85.8491	5.34142	1.71687	
87.2377	5.35147	1.68715	
88.6487	5.36108	1.65784	
90.0825	5.37030	1.62891	
91.5395	5.37913	1.60031	
93.0201	5.38740	1.57190	
94.5246	5.39514	1.54400	
96.0535	5.40250	1.51661	
97.6071	5.40957	1.48969	
99.1858	5.41689	1.46326	
100.790	5.42415	1.43628	
102.420	5.43019	1.40887	
104.077	5.43530	1.38222	
105.760	5.43994	1.35606	
107.471	5.44406	1.33039	
109.209	5.44773	1.30519	
110.975	5.45099	1.28048	
112.770	5.45389	1.25624	
114.594	5.45644	1.23245	
116.448	5.45866	1.20914	
118.331	5.46061	1.18627	
120.245	5.46230	1.16381	
122.190	5.46373	1.14177	
124.166	5.46493	1.12014	
126.175	5.46595	1.09894	
128.215	5.46695	1.07815	
130.289	5.46801	1.05760	
132.397	5.46877	1.03651	
134.538	5.46881	1.01582	
136.714	5.46841	0.995549	
138.925	5.46766	0.975693	
141.172	5.46663	0.956241	
143.456	5.46534	0.937174	
145.776	5.46382	0.918471	
148.134	5.46208	0.900155	
150.530	5.46020	0.882212	
152.964	5.45820	0.864610	
155.439	5.45616	0.847362	
157.953	5.45421	0.830458	
160.507	5.45304	0.813567	
163.103	5.45202	0.795548	
165.742	5.44957	0.776260	
168.422	5.44577	0.757438	
171.146	5.44112	0.739074	
173.915	5.43580	0.721154	
176.727	5.42989	0.703670	
179.586	5.42343	0.686608	
182.491	5.41647	0.669961	
185.442	5.40903	0.653718	
188.442	5.40111	0.637868	
191.489	5.39274	0.622402	
194.587	5.38392	0.607312	
197.734	5.37465	0.592587	
200.932	5.36494	0.578219	
204.182	5.35477	0.564200	
207.485	5.34415	0.550521	
210.840	5.33308	0.537173	
214.251	5.32155	0.524149	
217.716	5.30957	0.511440	
221.237	5.29733	0.498997	
224.816	5.28450	0.486268	
228.452	5.27067	0.473865	
232.147	5.25612	0.461778	
235.902	5.24084	0.449999	
239.717	5.22480	0.438521	
243.595	5.20796	0.427335	
247.535	5.19029	0.416435	
251.538	5.17175	0.405812	
255.607	5.15227	0.395461	
259.741	5.13178	0.385374	
263.942	5.11023	0.375544	
268.211	5.08753	0.365965	
272.549	5.06357	0.356630	
276.957	5.03826	0.347533	
281.437	5.01147	0.338668	
285.989	4.98307	0.330030	
290.615	4.95292	0.321611	
295.315	4.92083	0.313408	
300.092	4.88664	0.305413	
304.945	4.85017	0.297623	
309.878	4.81152	0.290032	
314.890	4.77024	0.280969	
319.983	4.72420	0.271097	
325.158	4.67285	0.261571	
330.418	4.61616	0.252380	
335.762	4.55339	0.243512	
341.192	4.48353	0.234956	
346.711	4.40525	0.226700	
352.319	4.31681	0.218734	
358.017	4.21577	0.211049	
363.808	4.09877	0.203644	
369.692	3.96099	0.196614	
375.672	3.79504	0.189827	
381.748	3.58874	0.183275	
387.922	3.32035	0.176948	
394.197	2.94481	0.170840	
400.573	2.34175	0.164943	
407.052	0.902755	0.159249	
409.800	-3.34729	0.156919	
410.000	-3.34070	4.19145	
413.635	1.37475	4.14308	
420.326	2.76993	4.05657	
427.124	3.47180	3.97187	
434.032	3.95030	3.88894	
441.052	4.31518	3.80774	
448.186	4.61038	3.72824	
455.435	4.85808	3.65039	
462.802	5.07115	3.57417	
470.287	5.25773	3.49954	
477.894	5.42335	3.42648	
485.623	5.57192	3.35493	
493.478	5.70635	3.28488	
501.459	5.82888	3.21629	
509.570	5.94124	3.14914	
517.812	6.04487	3.08339	
526.187	6.14095	3.01901	
534.698	6.23051	2.95597	
543.346	6.31452	2.89425	
552.134	6.39405	2.83382	
561.065	6.47106	2.77465	
570.139	6.54609	2.71065	
579.361	6.61317	2.64396	
588.732	6.67262	2.57890	
598.254	6.72717	2.51545	
607.930	6.77737	2.45355	
617.763	6.82373	2.39319	
627.755	6.86664	2.33430	
637.908	6.90643	2.27687	
648.226	6.94337	2.22084	
658.711	6.97771	2.16620	
669.365	7.00967	2.11290	
680.191	7.03943	2.06091	
691.193	7.06718	2.01021	
702.372	7.09308	1.96074	
713.733	7.11728	1.91250	
725.277	7.13995	1.86544	
737.008	7.16124	1.81954	
748.928	7.18132	1.77478	
761.042	7.20082	1.73111	
773.351	7.21973	1.68755	
785.859	7.23710	1.64348	
798.570	7.25230	1.59980	
811.486	7.26550	1.55727	
824.611	7.27724	1.51588	
837.949	7.28754	1.47559	
851.502	7.29659	1.43672	
865.274	7.30472	1.39924	
879.269	7.31226	1.36305	
893.491	7.31934	1.32778	
907.943	7.32586	1.29344	
922.628	7.33212	1.26000	
937.551	7.33793	1.22669	
952.715	7.34274	1.19410	
968.124	7.34685	1.16223	
983.783	7.35026	1.13121	
999.695	7.35311	1.10104	
1015.86	7.35545	1.07169	
1032.29	7.35753	1.04340	
1048.99	7.35965	1.01539	
1065.96	7.36113	0.987635	
1083.20	7.36187	0.960644	
1100.72	7.36219	0.934382	
1118.52	7.36212	0.908828	
1136.61	7.36171	0.883967	
1155.	7.36099	0.859792	
1173.68	7.36002	0.836289	
1192.66	7.35885	0.813426	
1211.95	7.35751	0.791189	
1231.55	7.35616	0.769561	
1251.47	7.35479	0.748220	
1271.72	7.35321	0.727154	
1292.29	7.35124	0.706299	
1313.19	7.34877	0.686031	
1334.43	7.34603	0.666348	
1356.01	7.34309	0.647237	
1377.94	7.33996	0.628640	
1400.23	7.33664	0.610591	
1422.88	7.33321	0.593089	
1445.89	7.32971	0.576061	
1469.28	7.32611	0.559505	
1493.04	7.32250	0.543407	
1517.19	7.31883	0.527586	
1541.73	7.31491	0.512213	
1566.67	7.31092	0.497310	
1592.01	7.30688	0.482831	
1617.76	7.30279	0.468772	
1643.92	7.29866	0.455120	
1670.51	7.29452	0.441867	
1697.53	7.29037	0.429000	
1724.99	7.28628	0.416509	
1752.89	7.28224	0.404201	
1781.24	7.27808	0.392198	
1810.05	7.27386	0.380508	
1839.32	7.26959	0.369169	
1869.07	7.26530	0.358167	
1899.30	7.26101	0.347492	
1930.02	7.25672	0.337134	
1961.24	7.25245	0.327086	
1992.96	7.24817	0.317340	
2025.20	7.24396	0.307997	
2057.95	7.23990	0.298733	
2091.24	7.23578	0.289725	
2125.06	7.23167	0.280975	
2159.43	7.22757	0.272469	
2194.36	7.22350	0.264210	
2229.85	7.21945	0.256185	
2265.92	7.21543	0.248394	
2302.57	7.21145	0.240822	
2339.81	7.20750	0.233471	
2377.66	7.20358	0.226326	
2416.11	7.19970	0.219390	
2455.19	7.19586	0.212656	
2494.90	7.19206	0.206120	
2535.26	7.18831	0.199772	
2576.26	7.18459	0.193608	
2617.93	7.18093	0.187630	
2660.27	7.17730	0.181816	
2703.30	7.17372	0.176182	
2747.03	7.17019	0.170711	
2791.46	7.16670	0.165399	
2836.61	7.16327	0.160250	
2882.49	7.15988	0.155248	
2929.11	7.15654	0.150389	
2976.48	7.15324	0.145680	
3024.63	7.15000	0.141110	
3073.55	7.14680	0.136673	
3123.26	7.14365	0.132370	
3173.78	7.14055	0.128195	
3225.11	7.13750	0.124153	
3277.27	7.13451	0.120219	
3330.28	7.13155	0.116411	
3384.15	7.12865	0.112717	
3438.88	7.12579	0.109134	
3494.50	7.12299	0.105658	
3551.02	7.12023	0.102286	
3608.46	7.11752	0.990161E-01
3666.82	7.11486	0.958453E-01
3726.13	7.11224	0.927710E-01
3786.40	7.10967	0.897890E-01
3847.64	7.10714	0.868981E-01
3909.87	7.10467	0.840951E-01
3973.11	7.10224	0.813777E-01
4037.38	7.09985	0.787312E-01
4102.68	7.09749	0.761794E-01
4169.03	7.09518	0.737062E-01
4236.46	7.09292	0.713120E-01
4304.98	7.09070	0.689915E-01
4374.62	7.08853	0.667440E-01
4445.37	7.08640	0.645673E-01
4517.27	7.08430	0.624588E-01
4590.33	7.08226	0.604167E-01
4664.58	7.08025	0.584390E-01
4740.03	7.07828	0.565230E-01
4816.69	7.07635	0.546688E-01
4894.60	7.07446	0.528719E-01
4973.77	7.07262	0.511327E-01
5054.21	7.07081	0.494484E-01
5135.96	7.06903	0.478178E-01
5219.03	7.06730	0.462392E-01
5303.44	7.06560	0.447096E-01
5389.22	7.06394	0.432299E-01
5476.39	7.06231	0.417965E-01
5564.97	7.06072	0.404085E-01
5654.98	7.05916	0.390665E-01
5746.44	7.05764	0.377663E-01
5839.39	7.05615	0.365079E-01
5933.83	7.05470	0.352890E-01
6029.81	7.05327	0.341103E-01
6127.33	7.05188	0.329685E-01
6226.44	7.05052	0.318640E-01
6327.15	7.04918	0.307956E-01
6429.48	7.04788	0.297618E-01
6533.48	7.04661	0.287609E-01
6639.15	7.04537	0.277916E-01
6746.54	7.04415	0.268536E-01
6855.65	7.04296	0.259475E-01
6966.54	7.04181	0.250700E-01
7079.22	7.04067	0.242218E-01
7193.72	7.03957	0.234003E-01
7310.07	7.03848	0.226054E-01
7428.31	7.03743	0.218367E-01
7548.45	7.03640	0.210932E-01
7670.54	7.03539	0.203739E-01
7794.61	7.03441	0.196782E-01
7920.68	7.03345	0.190053E-01
8048.79	7.03251	0.183546E-01
8178.98	7.03159	0.177251E-01
8311.26	7.03070	0.171163E-01
8445.69	7.02983	0.165279E-01
8582.29	7.02898	0.159585E-01
8721.11	7.02814	0.154081E-01
8862.16	7.02733	0.148760E-01
9005.50	7.02654	0.143614E-01
9151.16	7.02577	0.138640E-01
9299.17	7.02502	0.133831E-01
9449.58	7.02428	0.129181E-01
9602.42	7.02356	0.124689E-01
9757.73	7.02286	0.120344E-01
9915.55	7.02218	0.116146E-01
10075.9	7.02152	0.112088E-01
10238.9	7.02087	0.108166E-01
10404.5	7.02023	0.104376E-01
10572.8	7.01962	0.100714E-01
10743.8	7.01901	0.971753E-02
10917.6	7.01843	0.937560E-02
11094.2	7.01785	0.904524E-02
11273.6	7.01730	0.872607E-02
11455.9	7.01675	0.841776E-02
11641.2	7.01622	0.811993E-02
11829.5	7.01570	0.783223E-02
12020.8	7.01520	0.755438E-02
12215.3	7.01471	0.728601E-02
12412.8	7.01423	0.702685E-02
12613.6	7.01376	0.677659E-02
12817.6	7.01331	0.653494E-02
13025.0	7.01287	0.630162E-02
13235.6	7.01243	0.607636E-02
13449.7	7.01201	0.585890E-02
13667.2	7.01160	0.564898E-02
13888.3	7.01120	0.544636E-02
14112.9	7.01082	0.525080E-02
14341.2	7.01044	0.506207E-02
14573.1	7.01007	0.487994E-02
14808.9	7.00971	0.470421E-02
15048.4	7.00936	0.453465E-02
15291.8	7.00902	0.437107E-02
15539.1	7.00868	0.421328E-02
15790.4	7.00836	0.406106E-02
16045.8	7.00805	0.391426E-02
16305.4	7.00774	0.377268E-02
16569.1	7.00744	0.363616E-02
16837.1	7.00715	0.350453E-02
17109.4	7.00687	0.337762E-02
17386.1	7.00659	0.325528E-02
17667.4	7.00632	0.313736E-02
17953.1	7.00606	0.302370E-02
18243.5	7.00581	0.291418E-02
18538.6	7.00556	0.280864E-02
18838.4	7.00532	0.270697E-02
19143.1	7.00509	0.260902E-02
19452.7	7.00486	0.251467E-02
19767.4	7.00464	0.242380E-02
20087.1	7.00442	0.233706E-02
20412.0	7.00422	0.225277E-02
20742.1	7.00401	0.217158E-02
21077.6	7.00381	0.209337E-02
21418.5	7.00362	0.201803E-02
21765.0	7.00344	0.194545E-02
22117.0	7.00325	0.187552E-02
22474.7	7.00308	0.180815E-02
22838.2	7.00291	0.174324E-02
23207.6	7.00274	0.168069E-02
23583.0	7.00258	0.162043E-02
23964.4	7.00242	0.156235E-02
24352.0	7.00227	0.150639E-02
24745.9	7.00212	0.145246E-02
25146.2	7.00197	0.140048E-02
25552.9	7.00183	0.135039E-02
25966.2	7.00170	0.130212E-02
26386.1	7.00156	0.125559E-02
26812.9	7.00143	0.121074E-02
27246.6	7.00131	0.116751E-02
27687.3	7.00119	0.112584E-02
28135.1	7.00107	0.108567E-02
28590.2	7.00095	0.104695E-02
29052.6	7.00084	0.100962E-02
29522.5	7.00073	0.973629E-03
30000.0	7.00063	0.938934E-03