ca.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.	0.428047E-01
10.1617	-9999.	0.452690E-01
10.3261	-9999.	0.478750E-01
10.4931	-9999.	0.506311E-01
10.6628	-9999.	0.535459E-01
10.8353	-9999.	0.566284E-01
11.0106	-9999.	0.598885E-01
11.1886	-9999.	0.633362E-01
11.3696	-9999.	0.663412E-01
11.5535	-9999.	0.692222E-01
11.7404	-9999.	0.722284E-01
11.9303	-9999.	0.753652E-01
12.1232	-9999.	0.786381E-01
12.3193	-9999.	0.812905E-01
12.5186	-9999.	0.837847E-01
12.7210	-9999.	0.863555E-01
12.9268	-9999.	0.890052E-01
13.1359	-9999.	0.915234E-01
13.3483	-9999.	0.937972E-01
13.5642	-9999.	0.961275E-01
13.7836	-9999.	0.985158E-01
14.0066	-9999.	0.100963	
14.2331	-9999.	0.103551	
14.4633	-9999.	0.106682	
14.6973	-9999.	0.109908	
14.9350	-9999.	0.113231	
15.1765	-9999.	0.116655	
15.4220	-9999.	0.120178	
15.6714	-9999.	0.123377	
15.9249	-9999.	0.126661	
16.1825	-9999.	0.130033	
16.4442	-9999.	0.133493	
16.7102	-9999.	0.137047	
16.9805	-9999.	0.140739	
17.2551	-9999.	0.144546	
17.5342	-9999.	0.148456	
17.8178	-9999.	0.152472	
18.1060	-9999.	0.156196	
18.3989	-9999.	0.159707	
18.6964	-9999.	0.163297	
18.9988	-9999.	0.166967	
19.3061	-9999.	0.170969	
19.6184	-9999.	0.176222	
19.9357	-9999.	0.181636	
20.2582	-9999.	0.187217	
20.5858	-9999.	0.192970	
20.9188	-9999.	0.198638	
21.2571	-9999.	0.204419	
21.6009	-9999.	0.210369	
21.9503	-9999.	0.216493	
22.3053	-9999.	0.222794	
22.6661	-9999.	0.229765	
23.0327	-9999.	0.236992	
23.4053	-9999.	0.244446	
23.7838	-9999.	0.252134	
24.1685	-9999.	0.260064	
24.5594	-9999.	0.270130	
24.9566	-9999.	0.281711	
25.3603	-9999.	0.293788	
25.7705	-9999.	0.306383	
26.1873	-9999.	0.319519	
26.6109	-9999.	0.331878	
27.0413	-9999.	0.344558	
27.4786	-9999.	0.370025	
27.9231	-9999.	0.413990	
28.3747	-9999.	0.482245	
28.8337	-9999.	0.576340	
29.3000	-9.81985	0.795476	
29.7739	-13.0943	1.15137	
30.2555	-19.4672	9.48002	
30.7449	-16.1536	13.6832	
31.2421	-13.2939	15.8974	
31.7475	-10.9389	17.4478	
32.2609	-9.11316	18.8180	
32.7827	-7.05417	20.1634	
33.3130	-5.09631	20.7429	
33.8518	-3.39714	21.3391	
34.3993	-1.71411	21.9524	
34.9557	0.166864	22.3549	
35.5211	1.86790	22.5540	
36.0956	3.60786	22.7549	
36.6794	5.61642	22.7044	
37.2727	7.39788	22.3977	
37.8755	9.20752	21.9303	
38.4882	10.9363	21.3439	
39.1107	12.9679	20.7272	
39.7432	14.6370	18.8602	
40.3861	15.5985	17.1613	
41.0393	16.2190	15.6155	
41.7031	16.6240	14.2089	
42.3776	16.8847	12.9290	
43.0630	17.0628	11.7644	
43.7595	17.1584	10.5988	
44.4673	17.1064	9.52074	
45.1865	16.9704	8.55240	
45.9174	16.7803	7.68253	
46.6600	16.5539	6.90115	
47.4147	16.3046	6.19922	
48.1816	16.0429	5.56870	
48.9609	15.7789	5.00232	
49.7528	15.5360	4.49352	
50.5576	15.3720	3.95561	
51.3753	15.0786	3.38987	
52.2062	14.7242	2.90505	
53.0506	14.3556	2.48957	
53.9087	13.9877	2.13310	
54.7806	13.6194	1.81772	
55.6667	13.2532	1.54896	
56.5670	12.8928	1.31994	
57.4820	12.5365	1.12478	
58.4117	12.1858	0.979792	
59.3564	11.8664	0.864375	
60.3165	11.5595	0.762549	
61.2921	11.2440	0.688384	
62.2834	10.9612	0.651390	
63.2908	10.6900	0.625921	
64.3145	10.4391	0.622006	
65.3547	10.2103	0.632067	
66.4118	9.98744	0.646203	
67.4859	9.78272	0.689684	
68.5775	9.59673	0.736089	
69.6867	9.42721	0.797350	
70.8138	9.27910	0.865022	
71.9591	9.15684	0.935019	
73.1230	9.04395	0.992043	
74.3057	8.93687	1.05255	
75.5076	8.84042	1.11674	
76.7289	8.76073	1.17782	
77.9699	8.68187	1.23344	
79.2310	8.60637	1.29168	
80.5125	8.53698	1.35268	
81.8147	8.47454	1.41655	
83.1380	8.42135	1.48345	
84.4827	8.38243	1.54587	
85.8491	8.34265	1.60273	
87.2377	8.30463	1.66167	
88.6487	8.27133	1.72278	
90.0825	8.24374	1.78614	
91.5395	8.22330	1.85183	
93.0201	8.21278	1.91994	
94.5246	8.22206	1.98514	
96.0535	8.22931	2.02511	
97.6071	8.23148	2.06588	
99.1858	8.23251	2.10748	
100.790	8.23508	2.14991	
102.420	8.24044	2.19320	
104.077	8.25097	2.23736	
105.760	8.26937	2.27478	
107.471	8.28438	2.30697	
109.209	8.29816	2.33960	
110.975	8.31345	2.37270	
112.770	8.33124	2.40627	
114.594	8.35359	2.44032	
116.448	8.38916	2.47286	
118.331	8.42091	2.48265	
120.245	8.44360	2.49246	
122.190	8.46205	2.50232	
124.166	8.47682	2.51222	
126.175	8.48499	2.52570	
128.215	8.49735	2.54638	
130.289	8.51262	2.56723	
132.397	8.52985	2.58825	
134.538	8.54891	2.60945	
136.714	8.56995	2.63081	
138.925	8.59340	2.65235	
141.172	8.61994	2.67407	
143.456	8.65160	2.69597	
145.776	8.69855	2.70908	
148.134	8.73543	2.70734	
150.530	8.76472	2.70561	
152.964	8.79176	2.70387	
155.439	8.81743	2.70214	
157.953	8.84250	2.70041	
160.507	8.86779	2.69868	
163.103	8.89443	2.69695	
165.742	8.92490	2.69523	
168.422	8.96945	2.68714	
171.146	9.00182	2.65286	
173.915	9.02207	2.61901	
176.727	9.03418	2.58560	
179.586	9.04043	2.55261	
182.491	9.04135	2.52004	
185.442	9.03703	2.48860	
188.442	9.02924	2.45854	
191.489	9.01779	2.42885	
194.587	9.00247	2.39951	
197.734	8.98314	2.37052	
200.932	8.95956	2.34189	
204.182	8.93127	2.31360	
207.485	8.89581	2.28566	
210.840	8.85518	2.26502	
214.251	8.81520	2.24761	
217.716	8.77382	2.23033	
221.237	8.72999	2.21318	
224.816	8.68336	2.19616	
228.452	8.63404	2.17928	
232.147	8.58410	2.16253	
235.902	8.52827	2.13639	
239.717	8.46348	2.11017	
243.595	8.39038	2.08427	
247.535	8.30987	2.05869	
251.538	8.22485	2.03343	
255.607	8.13039	1.99907	
259.741	8.01918	1.96241	
263.942	7.89229	1.92642	
268.211	7.74878	1.89110	
272.549	7.58446	1.85642	
276.957	7.40314	1.83340	
281.437	7.20557	1.81133	
285.989	6.98745	1.78953	
290.615	6.74326	1.76799	
295.315	6.46735	1.74670	
300.092	6.15239	1.72565	
304.945	5.78847	1.70485	
309.878	5.36165	1.68430	
314.890	4.85004	1.66427	
319.983	4.22442	1.64761	
325.158	3.43116	1.63111	
330.418	2.36577	1.61477	
335.762	0.788583	1.59860	
341.192	-2.11054	1.58259	
346.100	-18.3346	1.56848	
346.300	-18.3167	14.7778	
346.711	-11.4294	14.7630	
352.319	-0.749394	14.5644	
358.017	2.18437	14.3685	
363.808	3.99194	14.1752	
369.692	5.30882	13.9845	
375.672	6.34355	13.7963	
381.748	7.18918	13.6107	
387.922	7.88686	13.4310	
394.197	8.45186	13.2614	
400.573	8.93036	13.2006	
407.052	9.41020	13.1824	
413.635	9.89672	13.1643	
420.326	10.3730	13.1463	
427.124	10.8436	13.1283	
434.032	11.3148	13.1103	
441.052	11.7985	13.0921	
448.186	12.3388	13.0547	
455.435	12.8690	12.9209	
462.802	13.3660	12.7214	
470.287	13.7886	12.4894	
477.894	14.1630	12.2616	
485.623	14.5041	12.0382	
493.478	14.8192	11.8189	
501.459	15.1124	11.6034	
509.570	15.3869	11.3918	
517.812	15.6464	11.1837	
526.187	15.8915	10.9780	
534.698	16.1236	10.7734	
543.346	16.3426	10.5715	
552.134	16.5539	10.3733	
561.065	16.7552	10.1692	
570.139	16.9376	9.96500	
579.361	17.1080	9.76824	
588.732	17.2695	9.57651	
598.254	17.4232	9.38927	
607.930	17.5705	9.20588	
617.763	17.7120	9.02611	
627.755	17.8530	8.84923	
637.908	17.9895	8.66800	
648.226	18.1185	8.47907	
658.711	18.2318	8.28687	
669.365	18.3214	8.09890	
680.191	18.3985	7.93432	
691.193	18.4838	7.78757	
702.372	18.5811	7.64623	
713.733	18.6864	7.48881	
725.277	18.7798	7.32197	
737.008	18.8601	7.15885	
748.928	18.9342	6.99956	
761.042	19.0043	6.84384	
773.351	19.0708	6.69039	
785.859	19.1339	6.53689	
798.570	19.1905	6.38407	
811.486	19.2408	6.23484	
824.611	19.2865	6.08911	
837.949	19.3280	5.94678	
851.502	19.3658	5.80823	
865.274	19.4004	5.67337	
879.269	19.4324	5.54207	
893.491	19.4622	5.41383	
907.943	19.4897	5.28854	
922.628	19.5152	5.16613	
937.551	19.5387	5.04619	
952.715	19.5602	4.92895	
968.124	19.5800	4.81435	
983.783	19.5985	4.70236	
999.695	19.6156	4.59264	
1015.86	19.6331	4.48513	
1032.29	19.6485	4.37666	
1048.99	19.6611	4.26994	
1065.96	19.6710	4.16493	
1083.20	19.6784	4.06252	
1100.72	19.6839	3.96262	
1118.52	19.6878	3.86515	
1136.61	19.6902	3.77011	
1155.	19.6912	3.67743	
1173.68	19.6911	3.58707	
1192.66	19.6899	3.49887	
1211.95	19.6876	3.41282	
1231.55	19.6844	3.32887	
1251.47	19.6802	3.24704	
1271.72	19.6753	3.16725	
1292.29	19.6697	3.08942	
1313.19	19.6635	3.01351	
1334.43	19.6567	2.93946	
1356.01	19.6495	2.86723	
1377.94	19.6418	2.79677	
1400.23	19.6338	2.72802	
1422.88	19.6256	2.66095	
1445.89	19.6176	2.59555	
1469.28	19.6099	2.53114	
1493.04	19.6036	2.46739	
1517.19	19.5959	2.40126	
1541.73	19.5853	2.33638	
1566.67	19.5732	2.27327	
1592.01	19.5599	2.21180	
1617.76	19.5457	2.15203	
1643.92	19.5307	2.09397	
1670.51	19.5152	2.03740	
1697.53	19.4991	1.98233	
1724.99	19.4825	1.92870	
1752.89	19.4654	1.87622	
1781.24	19.4477	1.82508	
1810.05	19.4294	1.77527	
1839.32	19.4106	1.72680	
1869.07	19.3913	1.67964	
1899.30	19.3716	1.63377	
1930.02	19.3514	1.58915	
1961.24	19.3309	1.54576	
1992.96	19.3098	1.50354	
2025.20	19.2885	1.46286	
2057.95	19.2670	1.42285	
2091.24	19.2450	1.38393	
2125.06	19.2226	1.34608	
2159.43	19.1997	1.30926	
2194.36	19.1764	1.27345	
2229.85	19.1527	1.23863	
2265.92	19.1285	1.20478	
2302.57	19.1038	1.17188	
2339.81	19.0786	1.13988	
2377.66	19.0529	1.10878	
2416.11	19.0266	1.07855	
2455.19	18.9997	1.04917	
2494.90	18.9721	1.02060	
2535.26	18.9438	0.992854	
2576.26	18.9148	0.965882	
2617.93	18.8849	0.939678	
2660.27	18.8540	0.914199	
2703.30	18.8222	0.889467	
2747.03	18.7892	0.865431	
2791.46	18.7550	0.842065	
2836.61	18.7194	0.819391	
2882.49	18.6823	0.797340	
2929.11	18.6435	0.775935	
2976.48	18.6026	0.755129	
3024.63	18.5596	0.734931	
3073.55	18.5141	0.715317	
3123.26	18.4657	0.696280	
3173.78	18.4140	0.677776	
3225.11	18.3585	0.659801	
3277.27	18.2984	0.642368	
3330.28	18.2330	0.625422	
3384.15	18.1612	0.608977	
3438.88	18.0817	0.593003	
3494.50	17.9925	0.577487	
3551.02	17.8914	0.562452	
3608.46	17.7746	0.547825	
3666.82	17.6369	0.533643	
3726.13	17.4703	0.519879	
3786.40	17.2609	0.506491	
3847.64	16.9825	0.493516	
3909.87	16.5760	0.480935	
3973.11	15.8521	0.468705	
4037.38	11.1907	0.456802	
4038.40	8.35517	0.456616	
4038.60	8.35607	4.14301	
4102.68	16.0437	4.04411	
4169.03	16.9411	3.94571	
4236.46	17.4778	3.84925	
4304.98	17.8639	3.75455	
4374.62	18.1653	3.66168	
4445.37	18.4118	3.57061	
4517.27	18.6196	3.48133	
4590.33	18.7983	3.39388	
4664.58	18.9543	3.30818	
4740.03	19.0920	3.22426	
4816.69	19.2145	3.14211	
4894.60	19.3243	3.06169	
4973.77	19.4233	2.98298	
5054.21	19.5127	2.90601	
5135.96	19.5940	2.83071	
5219.03	19.6680	2.75710	
5303.44	19.7354	2.68509	
5389.22	19.7971	2.61472	
5476.39	19.8535	2.54597	
5564.97	19.9052	2.47878	
5654.98	19.9526	2.41316	
5746.44	19.9961	2.34907	
5839.39	20.0360	2.28651	
5933.83	20.0726	2.22539	
6029.81	20.1061	2.16573	
6127.33	20.1369	2.10752	
6226.44	20.1651	2.05070	
6327.15	20.1908	1.99527	
6429.48	20.2144	1.94124	
6533.48	20.2360	1.88847	
6639.15	20.2556	1.83703	
6746.54	20.2734	1.78686	
6855.65	20.2896	1.73794	
6966.54	20.3042	1.69029	
7079.22	20.3174	1.64379	
7193.72	20.3293	1.59850	
7310.07	20.3399	1.55433	
7428.31	20.3494	1.51134	
7548.45	20.3578	1.46942	
7670.54	20.3651	1.42857	
7794.61	20.3715	1.38881	
7920.68	20.3771	1.35008	
8048.79	20.3818	1.31232	
8178.98	20.3857	1.27556	
8311.26	20.3889	1.23981	
8445.69	20.3915	1.20498	
8582.29	20.3935	1.17103	
8721.11	20.3948	1.13797	
8862.16	20.3956	1.10581	
9005.50	20.3959	1.07458	
9151.16	20.3957	1.04409	
9299.17	20.3951	1.01443	
9449.58	20.3941	0.985622	
9602.42	20.3927	0.957533	
9757.73	20.3909	0.930181	
9915.55	20.3888	0.903640	
10075.9	20.3865	0.877781	
10238.9	20.3839	0.852624	
10404.5	20.3810	0.828151	
10572.8	20.3778	0.804344	
10743.8	20.3745	0.781188	
10917.6	20.3709	0.758665	
11094.2	20.3672	0.736760	
11273.6	20.3633	0.715455	
11455.9	20.3592	0.694737	
11641.2	20.3551	0.674589	
11829.5	20.3507	0.654996	
12020.8	20.3463	0.635945	
12215.3	20.3418	0.617421	
12412.8	20.3372	0.599410	
12613.6	20.3325	0.581898	
12817.6	20.3278	0.564874	
13025.0	20.3230	0.548322	
13235.6	20.3181	0.532231	
13449.7	20.3132	0.516589	
13667.2	20.3083	0.501383	
13888.3	20.3034	0.486602	
14112.9	20.2984	0.472235	
14341.2	20.2934	0.458269	
14573.1	20.2884	0.444694	
14808.9	20.2834	0.431501	
15048.4	20.2784	0.418677	
15291.8	20.2734	0.406214	
15539.1	20.2684	0.394101	
15790.4	20.2635	0.382329	
16045.8	20.2585	0.370888	
16305.4	20.2536	0.359769	
16569.1	20.2487	0.348963	
16837.1	20.2438	0.338462	
17109.4	20.2390	0.328258	
17386.1	20.2342	0.318341	
17667.4	20.2294	0.308705	
17953.1	20.2247	0.299340	
18243.5	20.2200	0.290240	
18538.6	20.2153	0.281398	
18838.4	20.2107	0.272806	
19143.1	20.2061	0.264456	
19452.7	20.2016	0.256343	
19767.4	20.1971	0.248460	
20087.1	20.1926	0.240866	
20412.0	20.1883	0.233426	
20742.1	20.1840	0.226205	
21077.6	20.1797	0.219196	
21418.5	20.1754	0.212394	
21765.0	20.1712	0.205792	
22117.0	20.1671	0.199386	
22474.7	20.1630	0.193171	
22838.2	20.1590	0.187139	
23207.6	20.1550	0.181288	
23583.0	20.1511	0.175611	
23964.4	20.1472	0.170104	
24352.0	20.1434	0.164761	
24745.9	20.1397	0.159580	
25146.2	20.1360	0.154553	
25552.9	20.1324	0.149679	
25966.2	20.1288	0.144951	
26386.1	20.1253	0.140366	
26812.9	20.1218	0.135920	
27246.6	20.1184	0.131609	
27687.3	20.1150	0.127429	
28135.1	20.1118	0.123376	
28590.2	20.1085	0.119447	
29052.6	20.1054	0.115638	
29522.5	20.1026	0.111945	
30000.0	20.0981	0.108365