b.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.	1.48933	
10.1617	-9999.	1.48084	
10.3261	-9999.	1.47240	
10.4931	-9999.	1.46401	
10.6628	-9999.	1.45567	
10.8353	-9999.	1.44738	
11.0106	-9999.	1.43913	
11.1886	-9999.	1.43093	
11.3696	-9999.	1.42278	
11.5535	-9999.	1.41467	
11.7404	-9999.	1.40661	
11.9303	-9999.	1.39860	
12.1232	-9999.	1.39063	
12.3193	-9999.	1.38271	
12.5186	-9999.	1.37483	
12.7210	-9999.	1.36700	
12.9268	-9999.	1.35921	
13.1359	-9999.	1.35146	
13.3483	-9999.	1.34376	
13.5642	-9999.	1.33611	
13.7836	-9999.	1.32849	
14.0066	-9999.	1.32092	
14.2331	-9999.	1.31340	
14.4633	-9999.	1.30592	
14.6973	-9999.	1.29847	
14.9350	-9999.	1.29108	
15.1765	-9999.	1.28304	
15.4220	-9999.	1.27123	
15.6714	-9999.	1.25954	
15.9249	-9999.	1.24795	
16.1825	-9999.	1.23647	
16.4442	-9999.	1.22509	
16.7102	-9999.	1.21382	
16.9805	-9999.	1.20265	
17.2551	-9999.	1.19158	
17.5342	-9999.	1.18062	
17.8178	-9999.	1.16976	
18.1060	-9999.	1.15899	
18.3989	-9999.	1.14833	
18.6964	-9999.	1.13777	
18.9988	-9999.	1.12730	
19.3061	-9999.	1.11692	
19.6184	-9999.	1.10665	
19.9357	-9999.	1.09647	
20.2582	-9999.	1.08638	
20.5858	-9999.	1.07638	
20.9188	-9999.	1.06648	
21.2571	-9999.	1.05666	
21.6009	-9999.	1.04694	
21.9503	-9999.	1.03731	
22.3053	-9999.	1.02777	
22.6661	-9999.	1.01831	
23.0327	-9999.	1.00894	
23.4053	-9999.	0.999657	
23.7838	-9999.	0.990606	
24.1685	-9999.	0.981763	
24.5594	-9999.	0.973000	
24.9566	-9999.	0.964313	
25.3603	-9999.	0.955706	
25.7705	-9999.	0.947175	
26.1873	-9999.	0.938720	
26.6109	-9999.	0.930340	
27.0413	-9999.	0.922036	
27.4786	-9999.	0.913805	
27.9231	-9999.	0.905648	
28.3747	-9999.	0.897563	
28.8337	-9999.	0.889552	
29.3000	2.70114	0.881611	
29.7739	2.70924	0.873741	
30.2555	2.71684	0.866681	
30.7449	2.72467	0.860334	
31.2421	2.73292	0.854029	
31.7475	2.74123	0.847767	
32.2609	2.74958	0.841550	
32.7827	2.75795	0.835377	
33.3130	2.76635	0.829250	
33.8518	2.77479	0.823169	
34.3993	2.78332	0.817131	
34.9557	2.79220	0.811138	
35.5211	2.80101	0.804267	
36.0956	2.80936	0.797376	
36.6794	2.81743	0.790543	
37.2727	2.82532	0.783769	
37.8755	2.83309	0.777052	
38.4882	2.84076	0.770390	
39.1107	2.84837	0.763785	
39.7432	2.85607	0.757243	
40.3861	2.86381	0.750307	
41.0393	2.87121	0.743136	
41.7031	2.87824	0.736032	
42.3776	2.88508	0.728996	
43.0630	2.89177	0.722028	
43.7595	2.89833	0.715129	
44.4673	2.90488	0.708294	
45.1865	2.91145	0.701381	
45.9174	2.91778	0.694129	
46.6600	2.92380	0.686952	
47.4147	2.92962	0.679852	
48.1816	2.93531	0.672826	
48.9609	2.94094	0.665869	
49.7528	2.94670	0.658982	
50.5576	2.95245	0.651457	
51.3753	2.95768	0.643703	
52.2062	2.96242	0.636041	
53.0506	2.96687	0.628470	
53.9087	2.97107	0.620981	
54.7806	2.97504	0.613587	
55.6667	2.97882	0.606281	
56.5670	2.98242	0.599067	
57.4820	2.98589	0.591940	
58.4117	2.98929	0.584894	
59.3564	2.99270	0.577734	
60.3165	2.99591	0.570345	
61.2921	2.99887	0.562897	
62.2834	3.00149	0.555186	
63.2908	3.00359	0.547583	
64.3145	3.00540	0.540088	
65.3547	3.00694	0.532694	
66.4118	3.00824	0.525399	
67.4859	3.00933	0.518204	
68.5775	3.01030	0.511109	
69.6867	3.01114	0.503853	
70.8138	3.01173	0.496542	
71.9591	3.01194	0.488988	
73.1230	3.01167	0.481482	
74.3057	3.01097	0.474092	
75.5076	3.00995	0.466822	
76.7289	3.00862	0.459657	
77.9699	3.00704	0.452598	
79.2310	3.00517	0.445455	
80.5125	3.00296	0.438421	
81.8147	3.00044	0.431260	
83.1380	2.99744	0.424073	
84.4827	2.99392	0.416993	
85.8491	2.98998	0.410033	
87.2377	2.98566	0.403193	
88.6487	2.98095	0.396414	
90.0825	2.97584	0.389685	
91.5395	2.97030	0.382981	
93.0201	2.96424	0.376240	
94.5246	2.95761	0.369619	
96.0535	2.95047	0.363116	
97.6071	2.94283	0.356731	
99.1858	2.93493	0.350464	
100.790	2.92657	0.343808	
102.420	2.91715	0.336799	
104.077	2.90673	0.330006	
105.760	2.89532	0.323331	
107.471	2.88287	0.317003	
109.209	2.86954	0.311354	
110.975	2.85569	0.306228	
112.770	2.84162	0.301331	
114.594	2.82707	0.296255	
116.448	2.81160	0.290579	
118.331	2.79476	0.284822	
120.245	2.77657	0.279180	
122.190	2.75708	0.273649	
124.166	2.73621	0.268226	
126.175	2.71386	0.262912	
128.215	2.68993	0.257703	
130.289	2.66427	0.252595	
132.397	2.63679	0.247574	
134.538	2.60723	0.242496	
136.714	2.57523	0.237462	
138.925	2.54059	0.232530	
141.172	2.50303	0.227702	
143.456	2.46220	0.222974	
145.776	2.41750	0.218344	
148.134	2.36863	0.214205	
150.530	2.31566	0.210328	
152.964	2.25735	0.205697	
155.439	2.19207	0.200712	
157.953	2.11854	0.195525	
160.507	2.03507	0.190474	
163.103	1.93966	0.185553	
165.742	1.82931	0.180757	
168.422	1.69968	0.176085	
171.146	1.54436	0.171826	
173.915	1.35360	0.168067	
176.727	1.11057	0.164874	
179.586	0.782171	0.161758	
182.491	0.290493	0.158617	
185.442	-0.637089	0.155123	
187.900	-4.78581	0.152313	
188.100	-4.77338	4.25155	
188.442	-2.81976	4.24286	
191.489	-0.321484E-01	4.16670	
194.587	0.859101	4.09191	
197.734	1.41819	4.02128	
200.932	1.83260	3.95414	
204.182	2.16495	3.88815	
207.485	2.44452	3.82327	
210.840	2.68979	3.75945	
214.251	2.90804	3.68555	
217.716	3.09795	3.61074	
221.237	3.26593	3.53565	
224.816	3.41619	3.46212	
228.452	3.55209	3.39013	
232.147	3.67588	3.31961	
235.902	3.78930	3.25058	
239.717	3.89373	3.18300	
243.595	3.99030	3.11683	
247.535	4.07992	3.05201	
251.538	4.16334	2.98855	
255.607	4.24126	2.92641	
259.741	4.31429	2.86554	
263.942	4.38295	2.80593	
268.211	4.44782	2.74757	
272.549	4.50978	2.69044	
276.957	4.56954	2.63274	
281.437	4.62551	2.57409	
285.989	4.67680	2.51536	
290.615	4.72393	2.45779	
295.315	4.76763	2.40154	
300.092	4.80833	2.34657	
304.945	4.84632	2.29285	
309.878	4.88183	2.24035	
314.890	4.91505	2.18908	
319.983	4.94621	2.13898	
325.158	4.97540	2.09001	
330.418	5.00279	2.04220	
335.762	5.02857	1.99548	
341.192	5.05277	1.94978	
346.711	5.07551	1.90518	
352.319	5.09696	1.86160	
358.017	5.11718	1.81899	
363.808	5.13624	1.77735	
369.692	5.15427	1.73667	
375.672	5.17136	1.69691	
381.748	5.18754	1.65808	
387.922	5.20299	1.62030	
394.197	5.21918	1.58371	
400.573	5.23517	1.54540	
407.052	5.24857	1.50702	
413.635	5.26049	1.46951	
420.326	5.27124	1.43298	
427.124	5.28107	1.39737	
434.032	5.29012	1.36262	
441.052	5.29851	1.32873	
448.186	5.30657	1.29556	
455.435	5.31408	1.26256	
462.802	5.32065	1.22991	
470.287	5.32625	1.19786	
477.894	5.33098	1.16667	
485.623	5.33508	1.13629	
493.478	5.33862	1.10670	
501.459	5.34167	1.07788	
509.570	5.34435	1.04981	
517.812	5.34673	1.02238	
526.187	5.34893	0.995385	
534.698	5.35064	0.968563	
543.346	5.35143	0.942202	
552.134	5.35135	0.916550	
561.065	5.35073	0.892625	
570.139	5.35066	0.869687	
579.361	5.35087	0.846550	
588.732	5.35065	0.823799	
598.254	5.35003	0.801516	
607.930	5.34917	0.779833	
617.763	5.34826	0.758739	
627.755	5.34744	0.738149	
637.908	5.34702	0.717286	
648.226	5.34607	0.695804	
658.711	5.34351	0.674188	
669.365	5.33936	0.653250	
680.191	5.33390	0.634968	
691.193	5.32934	0.618719	
702.372	5.32662	0.603267	
713.733	5.32467	0.586951	
725.277	5.32199	0.570232	
737.008	5.31890	0.553984	
748.928	5.31562	0.538204	
761.042	5.31223	0.522872	
773.351	5.30882	0.507937	
785.859	5.30534	0.493312	
798.570	5.30171	0.479013	
811.486	5.29797	0.465121	
824.611	5.29417	0.451634	
837.949	5.29037	0.438538	
851.502	5.28662	0.425697	
865.274	5.28280	0.413094	
879.269	5.27882	0.400743	
893.491	5.27471	0.388746	
907.943	5.27049	0.377113	
922.628	5.26617	0.365835	
937.551	5.26180	0.355111	
952.715	5.25754	0.344749	
968.124	5.25338	0.334727	
983.783	5.24931	0.324999	
999.695	5.24536	0.315525	
1015.86	5.24154	0.306299	
1032.29	5.23778	0.297006	
1048.99	5.23388	0.287954	
1065.96	5.22991	0.279137	
1083.20	5.22591	0.270598	
1100.72	5.22191	0.262319	
1118.52	5.21792	0.254289	
1136.61	5.21394	0.246507	
1155.	5.20998	0.238961	
1173.68	5.20605	0.231645	
1192.66	5.20216	0.224555	
1211.95	5.19831	0.217682	
1231.55	5.19450	0.211021	
1251.47	5.19075	0.204548	
1271.72	5.18704	0.198261	
1292.29	5.18336	0.192151	
1313.19	5.17972	0.186228	
1334.43	5.17612	0.180488	
1356.01	5.17257	0.174925	
1377.94	5.16907	0.169534	
1400.23	5.16562	0.164310	
1422.88	5.16223	0.159248	
1445.89	5.15890	0.154338	
1469.28	5.15563	0.149571	
1493.04	5.15243	0.144939	
1517.19	5.14929	0.140388	
1541.73	5.14615	0.135973	
1566.67	5.14305	0.131697	
1592.01	5.13999	0.127556	
1617.76	5.13698	0.123544	
1643.92	5.13402	0.119658	
1670.51	5.13110	0.115894	
1697.53	5.12824	0.112248	
1724.99	5.12544	0.108716	
1752.89	5.12270	0.105266	
1781.24	5.11999	0.101916	
1810.05	5.11732	0.986663E-01
1839.32	5.11469	0.955176E-01
1869.07	5.11210	0.924686E-01
1899.30	5.10955	0.895166E-01
1930.02	5.10705	0.866612E-01
1961.24	5.10459	0.838971E-01
1992.96	5.10216	0.812206E-01
2025.20	5.09981	0.787027E-01
2057.95	5.09757	0.761739E-01
2091.24	5.09532	0.737227E-01
2125.06	5.09311	0.713481E-01
2159.43	5.09094	0.690489E-01
2194.36	5.08881	0.668140E-01
2229.85	5.08672	0.646543E-01
2265.92	5.08468	0.625607E-01
2302.57	5.08267	0.605286E-01
2339.81	5.08070	0.585635E-01
2377.66	5.07877	0.566582E-01
2416.11	5.07689	0.548123E-01
2455.19	5.07503	0.530246E-01
2494.90	5.07322	0.512928E-01
2535.26	5.07144	0.496148E-01
2576.26	5.06971	0.479897E-01
2617.93	5.06800	0.464157E-01
2660.27	5.06633	0.448913E-01
2703.30	5.06470	0.434149E-01
2747.03	5.06310	0.419853E-01
2791.46	5.06154	0.406005E-01
2836.61	5.06001	0.392606E-01
2882.49	5.05851	0.379625E-01
2929.11	5.05705	0.367055E-01
2976.48	5.05561	0.354884E-01
3024.63	5.05421	0.343104E-01
3073.55	5.05284	0.331697E-01
3123.26	5.05150	0.320658E-01
3173.78	5.05019	0.309971E-01
3225.11	5.04891	0.299625E-01
3277.27	5.04765	0.289616E-01
3330.28	5.04643	0.279922E-01
3384.15	5.04523	0.270543E-01
3438.88	5.04406	0.261471E-01
3494.50	5.04292	0.252687E-01
3551.02	5.04180	0.244190E-01
3608.46	5.04071	0.235963E-01
3666.82	5.03964	0.228007E-01
3726.13	5.03860	0.220309E-01
3786.40	5.03758	0.212856E-01
3847.64	5.03658	0.205649E-01
3909.87	5.03561	0.198682E-01
3973.11	5.03466	0.191937E-01
4037.38	5.03373	0.185476E-01
4102.68	5.03283	0.179165E-01
4169.03	5.03195	0.173072E-01
4236.46	5.03109	0.167181E-01
4304.98	5.03024	0.161487E-01
4374.62	5.02942	0.155980E-01
4445.37	5.02862	0.150659E-01
4517.27	5.02784	0.145518E-01
4590.33	5.02708	0.140547E-01
4664.58	5.02633	0.135741E-01
4740.03	5.02560	0.131094E-01
4816.69	5.02490	0.126607E-01
4894.60	5.02420	0.122266E-01
4973.77	5.02353	0.118072E-01
5054.21	5.02287	0.114019E-01
5135.96	5.02223	0.110101E-01
5219.03	5.02161	0.106315E-01
5303.44	5.02100	0.102655E-01
5389.22	5.02040	0.991185E-02
5476.39	5.01982	0.957001E-02
5564.97	5.01926	0.923971E-02
5654.98	5.01871	0.892048E-02
5746.44	5.01817	0.861194E-02
5839.39	5.01765	0.831380E-02
5933.83	5.01714	0.802574E-02
6029.81	5.01665	0.774736E-02
6127.33	5.01616	0.747830E-02
6226.44	5.01569	0.721834E-02
6327.15	5.01523	0.696712E-02
6429.48	5.01478	0.672443E-02
6533.48	5.01435	0.648984E-02
6639.15	5.01392	0.626329E-02
6746.54	5.01351	0.604440E-02
6855.65	5.01311	0.583287E-02
6966.54	5.01271	0.562839E-02
7079.22	5.01233	0.543100E-02
7193.72	5.01196	0.524026E-02
7310.07	5.01160	0.505601E-02
7428.31	5.01124	0.487800E-02
7548.45	5.01090	0.470595E-02
7670.54	5.01056	0.453990E-02
7794.61	5.01024	0.437949E-02
7920.68	5.00992	0.422456E-02
8048.79	5.00961	0.407489E-02
8178.98	5.00931	0.393020E-02
8311.26	5.00902	0.379062E-02
8445.69	5.00873	0.365578E-02
8582.29	5.00845	0.352547E-02
8721.11	5.00818	0.339979E-02
8862.16	5.00792	0.327838E-02
9005.50	5.00766	0.316109E-02
9151.16	5.00741	0.304783E-02
9299.17	5.00717	0.293857E-02
9449.58	5.00693	0.283291E-02
9602.42	5.00670	0.273103E-02
9757.73	5.00648	0.263256E-02
9915.55	5.00626	0.253775E-02
10075.9	5.00605	0.244607E-02
10238.9	5.00584	0.235757E-02
10404.5	5.00564	0.227215E-02
10572.8	5.00545	0.218970E-02
10743.8	5.00526	0.211014E-02
10917.6	5.00507	0.203335E-02
11094.2	5.00489	0.195925E-02
11273.6	5.00472	0.188774E-02
11455.9	5.00455	0.181875E-02
11641.2	5.00438	0.175219E-02
11829.5	5.00422	0.168796E-02
12020.8	5.00406	0.162601E-02
12215.3	5.00391	0.156625E-02
12412.8	5.00376	0.150860E-02
12613.6	5.00362	0.145300E-02
12817.6	5.00348	0.139938E-02
13025.0	5.00334	0.134766E-02
13235.6	5.00321	0.129780E-02
13449.7	5.00308	0.124972E-02
13667.2	5.00295	0.120336E-02
13888.3	5.00283	0.115867E-02
14112.9	5.00271	0.111559E-02
14341.2	5.00259	0.107406E-02
14573.1	5.00248	0.103404E-02
14808.9	5.00237	0.995465E-03
15048.4	5.00227	0.958296E-03
15291.8	5.00216	0.922482E-03
15539.1	5.00206	0.887977E-03
15790.4	5.00196	0.854736E-03
16045.8	5.00187	0.822718E-03
16305.4	5.00178	0.791879E-03
16569.1	5.00169	0.762180E-03
16837.1	5.00160	0.733582E-03
17109.4	5.00152	0.706047E-03
17386.1	5.00143	0.679540E-03
17667.4	5.00135	0.654024E-03
17953.1	5.00128	0.629466E-03
18243.5	5.00120	0.605832E-03
18538.6	5.00113	0.583093E-03
18838.4	5.00105	0.561215E-03
19143.1	5.00099	0.540171E-03
19452.7	5.00092	0.519930E-03
19767.4	5.00085	0.500466E-03
20087.1	5.00079	0.481560E-03
20412.0	5.00073	0.463572E-03
20742.1	5.00067	0.446275E-03
21077.6	5.00061	0.429641E-03
21418.5	5.00055	0.413645E-03
21765.0	5.00050	0.398260E-03
22117.0	5.00044	0.383463E-03
22474.7	5.00039	0.369231E-03
22838.2	5.00034	0.355541E-03
23207.6	5.00029	0.342372E-03
23583.0	5.00025	0.329702E-03
23964.4	5.00020	0.317515E-03
24352.0	5.00015	0.305788E-03
24745.9	5.00011	0.294506E-03
25146.2	5.00007	0.283650E-03
25552.9	5.00003	0.273204E-03
25966.2	4.99999	0.263151E-03
26386.1	4.99995	0.253477E-03
26812.9	4.99991	0.244167E-03
27246.6	4.99988	0.235206E-03
27687.3	4.99984	0.226582E-03
28135.1	4.99981	0.218281E-03
28590.2	4.99977	0.210290E-03
29052.6	4.99974	0.202598E-03
29522.5	4.99971	0.195192E-03
30000.0	4.99968	0.188063E-03