o.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.	0.703280	
10.1617	-9999.	0.707226	
10.3261	-9999.	0.707377	
10.4931	-9999.	0.707528	
10.6628	-9999.	0.707678	
10.8353	-9999.	0.707830	
11.0106	-9999.	0.707980	
11.1886	-9999.	0.708131	
11.3696	-9999.	0.708282	
11.5535	-9999.	0.708433	
11.7404	-9999.	0.708584	
11.9303	-9999.	0.710169	
12.1232	-9999.	0.712421	
12.3193	-9999.	0.714680	
12.5186	-9999.	0.716947	
12.7210	-9999.	0.719221	
12.9268	-9999.	0.721502	
13.1359	-9999.	0.723790	
13.3483	-9999.	0.726085	
13.5642	-9999.	0.733640	
13.7836	-9999.	0.746066	
14.0066	-9999.	0.758702	
14.2331	-9999.	0.771553	
14.4633	-9999.	0.784622	
14.6973	-9999.	0.801406	
14.9350	-9999.	0.832915	
15.1765	-9999.	0.865663	
15.4220	-9999.	0.899699	
15.6714	-9999.	0.973496	
15.9249	-9999.	1.07691	
16.1825	-9999.	1.19131	
16.4442	-9999.	1.31787	
16.7102	-9999.	1.45787	
16.9805	-9999.	1.61274	
17.2551	-9999.	1.78407	
17.5342	-9999.	1.97359	
17.8178	-9999.	2.19084	
18.1060	-9999.	2.44589	
18.3989	-9999.	2.73065	
18.6964	-9999.	3.04856	
18.9988	-9999.	3.31541	
19.3061	-9999.	3.47952	
19.6184	-9999.	3.65175	
19.9357	-9999.	3.77879	
20.2582	-9999.	3.83650	
20.5858	-9999.	3.89509	
20.9188	-9999.	3.95457	
21.2571	-9999.	4.01497	
21.6009	-9999.	4.07078	
21.9503	-9999.	4.11386	
22.3053	-9999.	4.15739	
22.6661	-9999.	4.20138	
23.0327	-9999.	4.24585	
23.4053	-9999.	4.29077	
23.7838	-9999.	4.33618	
24.1685	-9999.	4.37108	
24.5594	-9999.	4.39198	
24.9566	-9999.	4.41297	
25.3603	-9999.	4.43407	
25.7705	-9999.	4.45527	
26.1873	-9999.	4.47657	
26.6109	-9999.	4.49797	
27.0413	-9999.	4.51948	
27.4786	-9999.	4.54108	
27.9231	-9999.	4.56280	
28.3747	-9999.	4.58461	
28.8337	-9999.	4.60653	
29.3000	1.29108	4.62855	
29.7739	1.37530	4.65068	
30.2555	1.45987	4.67292	
30.7449	1.54500	4.69526	
31.2421	1.63089	4.71770	
31.7475	1.71782	4.74026	
32.2609	1.80604	4.76292	
32.7827	1.89591	4.78569	
33.3130	1.98784	4.80857	
33.8518	2.08240	4.83156	
34.3993	2.18037	4.85466	
34.9557	2.28303	4.87787	
35.5211	2.39360	4.90119	
36.0956	2.51838	4.92462	
36.6794	2.65940	4.90853	
37.2727	2.77356	4.88177	
37.8755	2.87789	4.85515	
38.4882	2.97620	4.82868	
39.1107	3.07020	4.80235	
39.7432	3.16085	4.77617	
40.3861	3.24882	4.75012	
41.0393	3.33461	4.72423	
41.7031	3.41860	4.69846	
42.3776	3.50113	4.67285	
43.0630	3.58251	4.64737	
43.7595	3.66302	4.62203	
44.4673	3.74299	4.59683	
45.1865	3.82277	4.57176	
45.9174	3.90281	4.54683	
46.6600	3.98375	4.52204	
47.4147	4.06668	4.49738	
48.1816	4.15435	4.47286	
48.9609	4.25303	4.43924	
49.7528	4.34278	4.38530	
50.5576	4.42066	4.33201	
51.3753	4.49260	4.27937	
52.2062	4.56033	4.22737	
53.0506	4.62460	4.17601	
53.9087	4.68591	4.12526	
54.7806	4.74464	4.07514	
55.6667	4.80103	4.02562	
56.5670	4.85533	3.97670	
57.4820	4.90769	3.92838	
58.4117	4.95827	3.88065	
59.3564	5.00720	3.83349	
60.3165	5.05457	3.78691	
61.2921	5.10049	3.74090	
62.2834	5.14504	3.69544	
63.2908	5.18829	3.65054	
64.3145	5.23031	3.60618	
65.3547	5.27115	3.56236	
66.4118	5.31086	3.51907	
67.4859	5.34947	3.47631	
68.5775	5.38698	3.43407	
69.6867	5.42322	3.39234	
70.8138	5.45837	3.35206	
71.9591	5.49332	3.31248	
73.1230	5.52779	3.27336	
74.3057	5.56170	3.23470	
75.5076	5.59505	3.19651	
76.7289	5.62788	3.15877	
77.9699	5.66020	3.12146	
79.2310	5.69205	3.08460	
80.5125	5.72347	3.04818	
81.8147	5.75450	3.01218	
83.1380	5.78519	2.97661	
84.4827	5.81559	2.94146	
85.8491	5.84576	2.90673	
87.2377	5.87577	2.87240	
88.6487	5.90572	2.83848	
90.0825	5.93570	2.80496	
91.5395	5.96588	2.77184	
93.0201	5.99646	2.73911	
94.5246	6.02776	2.70676	
96.0535	6.06038	2.67480	
97.6071	6.09575	2.64321	
99.1858	6.13917	2.60698	
100.790	6.17528	2.55821	
102.420	6.20520	2.51035	
104.077	6.23136	2.46339	
105.760	6.25498	2.41730	
107.471	6.27656	2.37208	
109.209	6.29640	2.32770	
110.975	6.31474	2.28416	
112.770	6.33175	2.24143	
114.594	6.34755	2.19949	
116.448	6.36224	2.15834	
118.331	6.37593	2.11797	
120.245	6.38867	2.07834	
122.190	6.40053	2.03946	
124.166	6.41155	2.00131	
126.175	6.42176	1.96387	
128.215	6.43119	1.92713	
130.289	6.43983	1.89108	
132.397	6.44761	1.85570	
134.538	6.45377	1.82102	
136.714	6.45983	1.78919	
138.925	6.46640	1.75791	
141.172	6.47299	1.72717	
143.456	6.47949	1.69698	
145.776	6.48585	1.66731	
148.134	6.49207	1.63816	
150.530	6.49816	1.60952	
152.964	6.50413	1.58138	
155.439	6.51001	1.55374	
157.953	6.51583	1.52657	
160.507	6.52164	1.49989	
163.103	6.52749	1.47366	
165.742	6.53347	1.44790	
168.422	6.53968	1.42259	
171.146	6.54628	1.39772	
173.915	6.55353	1.37328	
176.727	6.56188	1.34927	
179.586	6.57285	1.32568	
182.491	6.59062	1.29775	
185.442	6.60126	1.25985	
188.442	6.60656	1.22306	
191.489	6.60890	1.18734	
194.587	6.60909	1.15266	
197.734	6.60756	1.11900	
200.932	6.60459	1.08632	
204.182	6.60037	1.05459	
207.485	6.59504	1.02379	
210.840	6.58869	0.993894	
214.251	6.58141	0.964869	
217.716	6.57324	0.936690	
221.237	6.56421	0.909335	
224.816	6.55434	0.882777	
228.452	6.54358	0.856997	
232.147	6.53186	0.831968	
235.902	6.51910	0.807672	
239.717	6.50289	0.785141	
243.595	6.48780	0.767050	
247.535	6.47469	0.749377	
251.538	6.46187	0.732111	
255.607	6.44917	0.715246	
259.741	6.43647	0.698766	
263.942	6.42370	0.682666	
268.211	6.41077	0.666936	
272.549	6.39774	0.651568	
276.957	6.38453	0.636390	
281.437	6.37093	0.621360	
285.989	6.35684	0.606567	
290.615	6.34223	0.592106	
295.315	6.32710	0.577987	
300.092	6.31143	0.564206	
304.945	6.29521	0.550756	
309.878	6.27839	0.537625	
314.890	6.26093	0.524809	
319.983	6.24279	0.512296	
325.158	6.22392	0.500078	
330.418	6.20424	0.488156	
335.762	6.18372	0.476518	
341.192	6.16227	0.465160	
346.711	6.13982	0.454068	
352.319	6.11627	0.443240	
358.017	6.09153	0.432677	
363.808	6.06550	0.422359	
369.692	6.03805	0.412287	
375.672	6.00904	0.402455	
381.748	5.97834	0.392859	
387.922	5.94581	0.383399	
394.197	5.91108	0.373965	
400.573	5.87378	0.364734	
407.052	5.83371	0.355718	
413.635	5.79051	0.346911	
420.326	5.74378	0.338332	
427.124	5.69301	0.329966	
434.032	5.63760	0.321805	
441.052	5.57677	0.313842	
448.186	5.50955	0.306078	
455.435	5.43473	0.298525	
462.802	5.35075	0.291171	
470.287	5.25548	0.284004	
477.894	5.14604	0.277005	
485.623	5.01831	0.270184	
493.478	4.86623	0.263535	
501.459	4.68029	0.257056	
509.570	4.44433	0.250722	
517.812	4.12757	0.244542	
526.187	3.65977	0.238528	
534.698	2.81057	0.232662	
543.000	-2.97417	0.227165	
543.200	-2.96820	4.41017	
543.346	-1.76427	4.40843	
552.134	3.14873	4.30605	
561.065	4.13655	4.20603	
570.139	4.73493	4.10874	
579.361	5.16768	4.01631	
588.732	5.50836	3.92668	
598.254	5.78966	3.83948	
607.930	6.02905	3.75417	
617.763	6.23761	3.67071	
627.755	6.42270	3.58878	
637.908	6.59031	3.50519	
648.226	6.74023	3.41851	
658.711	6.87017	3.33072	
669.365	6.98234	3.24518	
680.191	7.07900	3.17061	
691.193	7.17176	3.10440	
702.372	7.26537	3.04097	
713.733	7.35632	2.97253	
725.277	7.43725	2.90138	
737.008	7.51096	2.83210	
748.928	7.57923	2.76441	
761.042	7.64278	2.69824	
773.351	7.70301	2.63299	
785.859	7.75952	2.56707	
798.570	7.81002	2.50097	
811.486	7.85560	2.43656	
824.611	7.89685	2.37381	
837.949	7.93400	2.31267	
851.502	7.96689	2.25490	
865.274	7.99727	2.20048	
879.269	8.02738	2.14904	
893.491	8.05676	2.09880	
907.943	8.08546	2.04974	
922.628	8.11385	2.00183	
937.551	8.14164	1.95125	
952.715	8.16639	1.90102	
968.124	8.18822	1.85129	
983.783	8.20773	1.80284	
999.695	8.22524	1.75575	
1015.86	8.24110	1.71001	
1032.29	8.25591	1.66625	
1048.99	8.27017	1.62304	
1065.96	8.28286	1.58035	
1083.20	8.29421	1.53877	
1100.72	8.30443	1.49828	
1118.52	8.31363	1.45885	
1136.61	8.32191	1.42048	
1155.	8.32937	1.38311	
1173.68	8.33606	1.34671	
1192.66	8.34205	1.31127	
1211.95	8.34741	1.27676	
1231.55	8.35226	1.24316	
1251.47	8.35670	1.21022	
1271.72	8.36065	1.17789	
1292.29	8.36377	1.14609	
1313.19	8.36620	1.11516	
1334.43	8.36809	1.08507	
1356.01	8.36949	1.05579	
1377.94	8.37047	1.02732	
1400.23	8.37109	0.999604	
1422.88	8.37136	0.972611	
1445.89	8.37135	0.946380	
1469.28	8.37123	0.920766	
1493.04	8.37088	0.895701	
1517.19	8.37025	0.870806	
1541.73	8.36901	0.846549	
1566.67	8.36742	0.822997	
1592.01	8.36555	0.800062	
1617.76	8.36340	0.777767	
1643.92	8.36104	0.756111	
1670.51	8.35851	0.735037	
1697.53	8.35582	0.714548	
1724.99	8.35305	0.694627	
1752.89	8.35021	0.675030	
1781.24	8.34710	0.655908	
1810.05	8.34378	0.637270	
1839.32	8.34028	0.619158	
1869.07	8.33665	0.601560	
1899.30	8.33291	0.584462	
1930.02	8.32907	0.567849	
1961.24	8.32516	0.551708	
1992.96	8.32116	0.536027	
2025.20	8.31719	0.520980	
2057.95	8.31332	0.506059	
2091.24	8.30931	0.491524	
2125.06	8.30523	0.477384	
2159.43	8.30109	0.463634	
2194.36	8.29692	0.450251	
2229.85	8.29272	0.437232	
2265.92	8.28851	0.424568	
2302.57	8.28427	0.412245	
2339.81	8.28002	0.400261	
2377.66	8.27576	0.388605	
2416.11	8.27151	0.377269	
2455.19	8.26726	0.366239	
2494.90	8.26301	0.355523	
2535.26	8.25878	0.345085	
2576.26	8.25456	0.334943	
2617.93	8.25035	0.325079	
2660.27	8.24617	0.315489	
2703.30	8.24200	0.306159	
2747.03	8.23786	0.297084	
2791.46	8.23375	0.288266	
2836.61	8.22967	0.279693	
2882.49	8.22562	0.271352	
2929.11	8.22161	0.263238	
2976.48	8.21762	0.255349	
3024.63	8.21367	0.247687	
3073.55	8.20976	0.240232	
3123.26	8.20589	0.232981	
3173.78	8.20205	0.225931	
3225.11	8.19826	0.219077	
3277.27	8.19450	0.212417	
3330.28	8.19079	0.205937	
3384.15	8.18711	0.199644	
3438.88	8.18349	0.193525	
3494.50	8.17991	0.187574	
3551.02	8.17636	0.181787	
3608.46	8.17287	0.176160	
3666.82	8.16942	0.170681	
3726.13	8.16599	0.165363	
3786.40	8.16262	0.160196	
3847.64	8.15929	0.155167	
3909.87	8.15601	0.150282	
3973.11	8.15276	0.145531	
4037.38	8.14954	0.140899	
4102.68	8.14635	0.136421	
4169.03	8.14321	0.132079	
4236.46	8.14011	0.127871	
4304.98	8.13705	0.123789	
4374.62	8.13404	0.119833	
4445.37	8.13108	0.115998	
4517.27	8.12816	0.112280	
4590.33	8.12529	0.108678	
4664.58	8.12246	0.105185	
4740.03	8.11969	0.101800	
4816.69	8.11695	0.985193E-01
4894.60	8.11427	0.953398E-01
4973.77	8.11163	0.922592E-01
5054.21	8.10904	0.892732E-01
5135.96	8.10649	0.863801E-01
5219.03	8.10400	0.835779E-01
5303.44	8.10154	0.808620E-01
5389.22	8.09913	0.782309E-01
5476.39	8.09677	0.756813E-01
5564.97	8.09445	0.732117E-01
5654.98	8.09218	0.708205E-01
5746.44	8.08995	0.685040E-01
5839.39	8.08776	0.662596E-01
5933.83	8.08562	0.640857E-01
6029.81	8.08351	0.619792E-01
6127.33	8.08146	0.599416E-01
6226.44	8.07944	0.579659E-01
6327.15	8.07746	0.560545E-01
6429.48	8.07552	0.542032E-01
6533.48	8.07362	0.524097E-01
6639.15	8.07176	0.506725E-01
6746.54	8.06994	0.489916E-01
6855.65	8.06816	0.473650E-01
6966.54	8.06642	0.457894E-01
7079.22	8.06471	0.442644E-01
7193.72	8.06304	0.427875E-01
7310.07	8.06140	0.413582E-01
7428.31	8.05980	0.399759E-01
7548.45	8.05824	0.386359E-01
7670.54	8.05670	0.373402E-01
7794.61	8.05521	0.360851E-01
7920.68	8.05374	0.348710E-01
8048.79	8.05231	0.336980E-01
8178.98	8.05091	0.325612E-01
8311.26	8.04954	0.314612E-01
8445.69	8.04820	0.303967E-01
8582.29	8.04689	0.293670E-01
8721.11	8.04561	0.283707E-01
8862.16	8.04436	0.274070E-01
9005.50	8.04313	0.264746E-01
9151.16	8.04194	0.255728E-01
9299.17	8.04077	0.247005E-01
9449.58	8.03963	0.238566E-01
9602.42	8.03852	0.230406E-01
9757.73	8.03743	0.222513E-01
9915.55	8.03637	0.214883E-01
10075.9	8.03533	0.207501E-01
10238.9	8.03432	0.200363E-01
10404.5	8.03333	0.193461E-01
10572.8	8.03236	0.186788E-01
10743.8	8.03142	0.180336E-01
10917.6	8.03049	0.174099E-01
11094.2	8.02960	0.168069E-01
11273.6	8.02872	0.162240E-01
11455.9	8.02786	0.156607E-01
11641.2	8.02703	0.151161E-01
11829.5	8.02621	0.145898E-01
12020.8	8.02541	0.140812E-01
12215.3	8.02464	0.135897E-01
12412.8	8.02388	0.131147E-01
12613.6	8.02314	0.126558E-01
12817.6	8.02242	0.122124E-01
13025.0	8.02172	0.117841E-01
13235.6	8.02103	0.113702E-01
13449.7	8.02036	0.109705E-01
13667.2	8.01971	0.105844E-01
13888.3	8.01907	0.102115E-01
14112.9	8.01845	0.985132E-02
14341.2	8.01785	0.950352E-02
14573.1	8.01726	0.916766E-02
14808.9	8.01668	0.884339E-02
15048.4	8.01612	0.853030E-02
15291.8	8.01557	0.822805E-02
15539.1	8.01504	0.793628E-02
15790.4	8.01452	0.765465E-02
16045.8	8.01402	0.738283E-02
16305.4	8.01352	0.712049E-02
16569.1	8.01304	0.686735E-02
16837.1	8.01257	0.662308E-02
17109.4	8.01212	0.638742E-02
17386.1	8.01167	0.616006E-02
17667.4	8.01124	0.594073E-02
17953.1	8.01082	0.572919E-02
18243.5	8.01041	0.552516E-02
18538.6	8.01001	0.532841E-02
18838.4	8.00962	0.513869E-02
19143.1	8.00924	0.495577E-02
19452.7	8.00887	0.477943E-02
19767.4	8.00851	0.460945E-02
20087.1	8.00816	0.444652E-02
20412.0	8.00782	0.428858E-02
20742.1	8.00749	0.413632E-02
21077.6	8.00717	0.398954E-02
21418.5	8.00686	0.384804E-02
21765.0	8.00655	0.371162E-02
22117.0	8.00626	0.358009E-02
22474.7	8.00597	0.345328E-02
22838.2	8.00569	0.333100E-02
23207.6	8.00541	0.321310E-02
23583.0	8.00515	0.309941E-02
23964.4	8.00489	0.298978E-02
24352.0	8.00464	0.288407E-02
24745.9	8.00439	0.278212E-02
25146.2	8.00416	0.268380E-02
25552.9	8.00393	0.258899E-02
25966.2	8.00370	0.249755E-02
26386.1	8.00348	0.240935E-02
26812.9	8.00327	0.232429E-02
27246.6	8.00307	0.224225E-02
27687.3	8.00286	0.216311E-02
28135.1	8.00267	0.208678E-02
28590.2	8.00248	0.201316E-02
29052.6	8.00230	0.194214E-02
29522.5	8.00212	0.187363E-02
30000.0	8.00194	0.180754E-02