pm.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.	0.216409	
10.1617	-9999.	0.224290	
10.3261	-9999.	0.232458	
10.4931	-9999.	0.240924	
10.6628	-9999.	0.249698	
10.8353	-9999.	0.258791	
11.0106	-9999.	0.268216	
11.1886	-9999.	0.277984	
11.3696	-9999.	0.288107	
11.5535	-9999.	0.298599	
11.7404	-9999.	0.309474	
11.9303	-9999.	0.320744	
12.1232	-9999.	0.332425	
12.3193	-9999.	0.342577	
12.5186	-9999.	0.351995	
12.7210	-9999.	0.361672	
12.9268	-9999.	0.371615	
13.1359	-9999.	0.381831	
13.3483	-9999.	0.392328	
13.5642	-9999.	0.403114	
13.7836	-9999.	0.413580	
14.0066	-9999.	0.422763	
14.2331	-9999.	0.432149	
14.4633	-9999.	0.441745	
14.6973	-9999.	0.454608	
14.9350	-9999.	0.467940	
15.1765	-9999.	0.481663	
15.4220	-9999.	0.495789	
15.6714	-9999.	0.510328	
15.9249	-9999.	0.525294	
16.1825	-9999.	0.540699	
16.4442	-9999.	0.557512	
16.7102	-9999.	0.575659	
16.9805	-9999.	0.594396	
17.2551	-9999.	0.613743	
17.5342	-9999.	0.635334	
17.8178	-9999.	0.669871	
18.1060	-9999.	0.706284	
18.3989	-9999.	0.744677	
18.6964	-9999.	0.797210	
18.9988	-9999.	0.886072	
19.3061	-9999.	0.984840	
19.6184	-9999.	1.11359	
19.9357	-9999.	1.35765	
20.2582	-9999.	1.65520	
20.5858	-9999.	2.03967	
20.9188	-9999.	2.62362	
21.2571	-9999.	3.22731	
21.6009	-9999.	3.82803	
21.9503	-9999.	4.54056	
22.3053	-9999.	5.39840	
22.6661	-9999.	6.42938	
23.0327	-9999.	7.59968	
23.4053	-9999.	8.88775	
23.7838	-9999.	10.3218	
24.1685	-9999.	11.9352	
24.5594	-9999.	12.9530	
24.9566	-9999.	13.6096	
25.3603	-9999.	14.2995	
25.7705	-9999.	14.6770	
26.1873	-9999.	14.9654	
26.6109	-9999.	15.2594	
27.0413	-9999.	15.4623	
27.4786	-9999.	15.1782	
27.9231	-9999.	14.8994	
28.3747	-9999.	14.6256	
28.8337	-9999.	14.3569	
29.3000	8.45615	14.0932	
29.7739	9.08674	13.7903	
30.2555	9.62563	13.4041	
30.7449	10.0872	13.0287	
31.2421	10.4990	12.6638	
31.7475	10.8837	12.3092	
32.2609	11.2703	11.9645	
32.7827	11.6222	11.5060	
33.3130	11.8689	11.0499	
33.8518	12.0472	10.6119	
34.3993	12.1621	10.1913	
34.9557	12.1930	9.82892	
35.5211	12.2432	9.54370	
36.0956	12.2969	9.26675	
36.6794	12.3407	8.99784	
37.2727	12.3646	8.73673	
37.8755	12.3543	8.48321	
38.4882	12.3351	8.30142	
39.1107	12.3359	8.12735	
39.7432	12.3395	7.95692	
40.3861	12.3397	7.79007	
41.0393	12.3331	7.62671	
41.7031	12.3160	7.46678	
42.3776	12.2767	7.31020	
43.0630	12.1873	7.19367	
43.7595	12.1414	7.13115	
44.4673	12.1209	7.06918	
45.1865	12.1102	7.00775	
45.9174	12.1063	6.94686	
46.6600	12.1090	6.88559	
47.4147	12.1123	6.81833	
48.1816	12.1138	6.75173	
48.9609	12.1138	6.68578	
49.7528	12.1123	6.62047	
50.5576	12.1090	6.55580	
51.3753	12.1038	6.49176	
52.2062	12.0970	6.42675	
53.0506	12.0846	6.36093	
53.9087	12.0665	6.29579	
54.7806	12.0411	6.23133	
55.6667	12.0031	6.16750	
56.5670	11.9579	6.12616	
57.4820	11.9206	6.09029	
58.4117	11.8836	6.05465	
59.3564	11.8412	6.01921	
60.3165	11.7976	5.99766	
61.2921	11.7590	5.97768	
62.2834	11.7215	5.95777	
63.2908	11.6833	5.93793	
64.3145	11.6437	5.91815	
65.3547	11.6018	5.89843	
66.4118	11.5571	5.87879	
67.4859	11.5088	5.85920	
68.5775	11.4556	5.83969	
69.6867	11.3958	5.82396	
70.8138	11.3352	5.81106	
71.9591	11.2719	5.79819	
73.1230	11.2046	5.78535	
74.3057	11.1325	5.77254	
75.5076	11.0551	5.75976	
76.7289	10.9718	5.74701	
77.9699	10.8822	5.73427	
79.2310	10.7859	5.72158	
80.5125	10.6825	5.70890	
81.8147	10.5726	5.69627	
83.1380	10.4605	5.68365	
84.4827	10.3360	5.64880	
85.8491	10.1889	5.61309	
87.2377	10.0212	5.57760	
88.6487	9.83378	5.54234	
90.0825	9.62541	5.50730	
91.5395	9.39424	5.47248	
93.0201	9.13798	5.43788	
94.5246	8.85386	5.40350	
96.0535	8.53861	5.36934	
97.6071	8.18845	5.33539	
99.1858	7.79915	5.30166	
100.790	7.36771	5.26814	
102.420	6.90213	5.23483	
104.077	6.37205	5.14058	
105.760	5.71711	5.03015	
107.471	4.93525	4.92209	
109.209	4.00708	4.81635	
110.975	2.89932	4.70689	
112.770	1.53841	4.59202	
114.594	-0.187683	4.51662	
116.448	-2.29892	4.51673	
118.331	-5.05465	4.51684	
120.245	-9.05336	4.57800	
122.190	-15.5338	4.99732	
124.166	-27.3019	10.2291	
126.175	-38.8972	26.5721	
128.215	-22.7101	57.1104	
130.289	-4.71095	56.8664	
132.397	7.37775	54.5017	
134.538	14.8744	50.2126	
136.714	19.5442	46.2611	
138.925	22.6048	42.6859	
141.172	24.9585	40.0198	
143.456	26.9095	37.5202	
145.776	28.5041	35.1767	
148.134	29.7677	32.9797	
150.530	30.7368	30.9198	
152.964	31.4670	29.0538	
155.439	32.0637	27.3351	
157.953	32.5279	25.7179	
160.507	32.8699	24.1965	
163.103	33.1022	22.7650	
165.742	33.2365	21.4183	
168.422	33.2810	20.1511	
171.146	33.2415	18.9590	
173.915	33.1172	17.8374	
176.727	32.8936	16.7822	
179.586	32.4733	15.8826	
182.491	32.1736	15.2489	
185.442	31.9417	14.6406	
188.442	31.7317	14.0564	
191.489	31.5248	13.4956	
194.587	31.3114	12.9571	
197.734	31.0838	12.4402	
200.932	30.8342	11.9438	
204.182	30.5489	11.4673	
207.485	30.1287	11.0440	
210.840	29.7770	10.8367	
214.251	29.5185	10.6332	
217.716	29.2917	10.4336	
221.237	29.0816	10.2377	
224.816	28.8784	10.0455	
228.452	28.6735	9.85694	
232.147	28.4565	9.67188	
235.902	28.1793	9.49030	
239.717	27.8855	9.43913	
243.595	27.6702	9.43755	
247.535	27.4975	9.43598	
251.538	27.3493	9.43439	
255.607	27.2174	9.43282	
259.741	27.0960	9.43124	
263.942	26.9801	9.42967	
268.211	26.8635	9.42810	
272.549	26.7317	9.42652	
276.957	26.5625	9.47945	
281.437	26.4420	9.58710	
285.989	26.3664	9.69597	
290.615	26.3123	9.80607	
295.315	26.2762	9.91744	
300.092	26.2559	10.0301	
304.945	26.2498	10.1440	
309.878	26.2572	10.2591	
314.890	26.2774	10.3756	
319.983	26.3101	10.4935	
325.158	26.3555	10.6126	
330.418	26.4139	10.7332	
335.762	26.4861	10.8550	
341.192	26.5740	10.9783	
346.711	26.6814	11.1030	
352.319	26.8260	11.2224	
358.017	26.9696	11.2973	
363.808	27.1102	11.3728	
369.692	27.2560	11.4487	
375.672	27.4145	11.5251	
381.748	27.5954	11.6020	
387.922	27.8375	11.6794	
394.197	28.0709	11.6206	
400.573	28.2572	11.5534	
407.052	28.4085	11.4865	
413.635	28.5414	11.4200	
420.326	28.6587	11.3539	
427.124	28.7616	11.2882	
434.032	28.8314	11.2230	
441.052	28.9023	11.2044	
448.186	28.9877	11.1857	
455.435	29.0773	11.1671	
462.802	29.1689	11.1485	
470.287	29.2621	11.1300	
477.894	29.3567	11.1114	
485.623	29.4535	11.0929	
493.478	29.5539	11.0745	
501.459	29.6632	11.0560	
509.570	29.7807	11.0183	
517.812	29.8915	10.9676	
526.187	29.9937	10.9115	
534.698	30.0897	10.8456	
543.346	30.1737	10.7751	
552.134	30.2509	10.7052	
561.065	30.3220	10.6290	
570.139	30.3830	10.5501	
579.361	30.4340	10.4711	
588.732	30.4770	10.3925	
598.254	30.5125	10.3145	
607.930	30.5412	10.2372	
617.763	30.5640	10.1604	
627.755	30.5835	10.0836	
637.908	30.5985	10.0001	
648.226	30.6040	9.90672	
658.711	30.5898	9.80720	
669.365	30.5551	9.70863	
680.191	30.5019	9.62524	
691.193	30.4457	9.55332	
702.372	30.3959	9.48314	
713.733	30.3410	9.39624	
725.277	30.2625	9.29832	
737.008	30.1630	9.20140	
748.928	30.0444	9.10546	
761.042	29.9068	9.01035	
773.351	29.7502	8.91471	
785.859	29.5710	8.81474	
798.570	29.3613	8.71151	
811.486	29.1193	8.60958	
824.611	28.8427	8.50874	
837.949	28.5276	8.40898	
851.502	28.1681	8.30883	
865.274	27.7560	8.20775	
879.269	27.2792	8.10604	
893.491	26.7251	8.00569	
907.943	26.0762	7.90664	
922.628	25.3084	7.80888	
937.551	24.3802	7.70707	
952.715	23.2288	7.60544	
968.124	21.7470	7.50418	
983.783	19.7266	7.40404	
999.695	16.6575	7.30526	
1015.86	10.4971	7.20783	
1026.80	-21.7185	7.14352	
1027.	-21.7164	28.7355	
1032.29	5.61243	28.7481	
1048.99	15.3585	28.7874	
1065.96	19.3789	28.8269	
1083.20	22.0202	28.8662	
1100.72	24.0292	28.9056	
1118.52	25.6767	28.9450	
1136.61	27.0919	28.9844	
1155.	28.3467	29.0239	
1173.68	29.4853	29.0635	
1192.66	30.5373	29.1032	
1211.95	31.5232	29.1429	
1231.55	32.4583	29.1829	
1251.47	33.3542	29.2227	
1271.72	34.2203	29.2624	
1292.29	35.0641	29.3022	
1313.19	35.8931	29.3423	
1334.43	36.7142	29.3824	
1356.01	37.5335	29.4221	
1377.94	38.3587	29.4624	
1400.23	39.1997	29.5027	
1422.88	40.0705	29.5429	
1445.89	41.0000	29.5832	
1469.28	42.0467	29.5578	
1493.04	43.2259	29.4322	
1517.19	44.2904	28.8901	
1541.73	45.1410	28.3009	
1566.67	45.8092	27.7236	
1592.01	46.3196	27.1582	
1617.76	46.5234	26.8739	
1643.92	47.1862	27.1221	
1670.51	48.1538	26.6954	
1697.53	48.9244	26.1554	
1724.99	49.5444	25.6264	
1752.89	50.1026	25.0944	
1781.24	50.6061	24.5687	
1810.05	51.0648	24.0502	
1839.32	51.4851	23.5429	
1869.07	51.8739	23.0464	
1899.30	52.2351	22.5603	
1930.02	52.5718	22.0844	
1961.24	52.8862	21.6187	
1992.96	53.1777	21.1629	
2025.20	53.4649	20.7267	
2057.95	53.7374	20.2788	
2091.24	53.9859	19.8383	
2125.06	54.2171	19.4056	
2159.43	54.4321	18.9804	
2194.36	54.6325	18.5634	
2229.85	54.8190	18.1537	
2265.92	54.9924	17.7520	
2302.57	55.1538	17.3576	
2339.81	55.3033	16.9707	
2377.66	55.4419	16.5915	
2416.11	55.5701	16.2196	
2455.19	55.6887	15.8552	
2494.90	55.7976	15.4973	
2535.26	55.8975	15.1473	
2576.26	55.9892	14.8043	
2617.93	56.0730	14.4680	
2660.27	56.1490	14.1383	
2703.30	56.2172	13.8154	
2747.03	56.2784	13.4997	
2791.46	56.3333	13.1904	
2836.61	56.3814	12.8873	
2882.49	56.4238	12.5913	
2929.11	56.4606	12.3008	
2976.48	56.4911	12.0163	
3024.63	56.5162	11.7387	
3073.55	56.5365	11.4666	
3123.26	56.5516	11.2001	
3173.78	56.5617	10.9398	
3225.11	56.5673	10.6851	
3277.27	56.5684	10.4359	
3330.28	56.5650	10.1922	
3384.15	56.5575	9.95373	
3438.88	56.5457	9.72056	
3494.50	56.5299	9.49256	
3551.02	56.5101	9.26961	
3608.46	56.4864	9.05160	
3666.82	56.4589	8.83845	
3726.13	56.4274	8.63000	
3786.40	56.3922	8.42630	
3847.64	56.3532	8.22715	
3909.87	56.3103	8.03236	
3973.11	56.2635	7.84205	
4037.38	56.2128	7.65602	
4102.68	56.1582	7.47420	
4169.03	56.0994	7.29641	
4236.46	56.0364	7.12277	
4304.98	55.9690	6.95294	
4374.62	55.8969	6.78696	
4445.37	55.8200	6.62483	
4517.27	55.7380	6.46631	
4590.33	55.6505	6.31138	
4664.58	55.5572	6.16008	
4740.03	55.4575	6.01213	
4816.69	55.3509	5.86756	
4894.60	55.2367	5.72638	
4973.77	55.1141	5.58828	
5054.21	54.9821	5.45343	
5135.96	54.8396	5.32159	
5219.03	54.6851	5.19278	
5303.44	54.5167	5.06681	
5389.22	54.3322	4.94382	
5476.39	54.1287	4.82361	
5564.97	53.9024	4.70617	
5654.98	53.6483	4.59137	
5746.44	53.3593	4.47929	
5839.39	53.0254	4.36970	
5933.83	52.6315	4.26247	
6029.81	52.1527	4.15778	
6127.33	51.5453	4.05558	
6226.44	50.7172	3.95562	
6327.15	49.4124	3.85796	
6429.48	46.0453	3.76244	
6459.20	33.1901	3.73542	
6459.40	33.1911	10.8415	
6533.48	48.1440	10.6158	
6639.15	49.9780	10.3062	
6746.54	50.6958	10.0055	
6855.65	50.7949	9.71357	
6966.54	49.7355	9.43029	
7012.70	41.0760	9.31608	
7012.90	41.0789	13.9235	
7079.22	51.0072	13.5142	
7193.72	52.7798	12.8441	
7310.07	53.4313	12.2070	
7427.80	49.6437	11.6041	
7428.	49.6436	13.5704	
7428.31	50.5195	13.5694	
7548.45	54.5514	13.2272	
7670.54	55.4394	12.8932	
7794.61	56.0965	12.5669	
7920.68	56.6337	12.2479	
8048.79	57.0905	11.9359	
8178.98	57.4874	11.6311	
8311.26	57.8369	11.3333	
8445.69	58.1473	11.0425	
8582.29	58.4247	10.7585	
8721.11	58.6738	10.4811	
8862.16	58.8980	10.2103	
9005.50	59.1000	9.94601	
9151.16	59.2818	9.68785	
9299.17	59.4449	9.43598	
9449.58	59.5893	9.19003	
9602.42	59.7129	8.95034	
9757.73	59.7927	8.71623	
9915.55	59.9187	8.59018	
10075.9	60.1180	8.36483	
10238.9	60.2096	8.14506	
10404.5	60.3070	7.93073	
10572.8	60.3951	7.72172	
10743.8	60.4746	7.51793	
10917.6	60.5461	7.31925	
11094.2	60.6104	7.12556	
11273.6	60.6682	6.93675	
11455.9	60.7199	6.75273	
11641.2	60.7661	6.57337	
11829.5	60.8071	6.39857	
12020.8	60.8434	6.22823	
12215.3	60.8753	6.06225	
12412.8	60.9031	5.90053	
12613.6	60.9271	5.74296	
12817.6	60.9476	5.58946	
13025.0	60.9648	5.43992	
13235.6	60.9790	5.29425	
13449.7	60.9903	5.15237	
13667.2	60.9989	5.01416	
13888.3	61.0051	4.87956	
14112.9	61.0090	4.74847	
14341.2	61.0108	4.62080	
14573.1	61.0105	4.49647	
14808.9	61.0084	4.37541	
15048.4	61.0046	4.25752	
15291.8	60.9991	4.14273	
15539.1	60.9921	4.03096	
15790.4	60.9838	3.92214	
16045.8	60.9741	3.81619	
16305.4	60.9632	3.71304	
16569.1	60.9512	3.61262	
16837.1	60.9381	3.51486	
17109.4	60.9240	3.41969	
17386.1	60.9090	3.32705	
17667.4	60.8932	3.23686	
17953.1	60.8765	3.14907	
18243.5	60.8592	3.06362	
18538.6	60.8411	2.98044	
18838.4	60.8224	2.89947	
19143.1	60.8031	2.82066	
19452.7	60.7832	2.74395	
19767.4	60.7629	2.66929	
20087.1	60.7420	2.59662	
20412.0	60.7206	2.52589	
20742.1	60.6989	2.45704	
21077.6	60.6767	2.39004	
21418.5	60.6541	2.32482	
21765.0	60.6312	2.26135	
22117.0	60.6079	2.19957	
22474.7	60.5842	2.13945	
22838.2	60.5602	2.08093	
23207.6	60.5359	2.02397	
23583.0	60.5113	1.96854	
23964.4	60.4863	1.91458	
24352.0	60.4611	1.86207	
24745.9	60.4355	1.81096	
25146.2	60.4095	1.76122	
25552.9	60.3832	1.71281	
25966.2	60.3566	1.66568	
26386.1	60.3296	1.61982	
26812.9	60.3022	1.57518	
27246.6	60.2743	1.53173	
27687.3	60.2460	1.48943	
28135.1	60.2173	1.44827	
28590.2	60.1879	1.40820	
29052.6	60.1580	1.36919	
29522.5	60.1275	1.33123	
30000.0	60.0962	1.29427