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Del diagrama de difracción de la muestra MC2ED se han seleccionado un total de 28 máximos, situados en las siguientes posiciones [ver tabla en modo texto]:
|
Máximo |
Posición (2q) |
Posición (d) |
Intensidad (cuentas) |
Intensidad (%) |
Fondo continuo (cuentas) |
|
1 |
9.75328 |
9.0606 |
440.03967 |
19.0 |
171.38768 |
|
2 |
10.45435 |
8.4545 |
2320.98267 |
100.0 |
188.72794 |
|
3 |
17.35458 |
5.1054 |
176.12338 |
7.6 |
74.57811 |
|
4 |
18.09452 |
4.8983 |
297.76093 |
12.8 |
76.76232 |
|
5 |
19.56465 |
4.5334 |
360.10907 |
15.5 |
68.51654 |
|
6 |
21.00291 |
4.2261 |
171.53654 |
7.4 |
62.42228 |
|
7 |
22.20157 |
4.0006 |
99.58774 |
4.3 |
58.77872 |
|
8 |
22.83455 |
3.8911 |
182.77313 |
7.9 |
1.20148 |
|
9 |
26.23193 |
3.3943 |
457.17630 |
19.7 |
18.58785 |
|
10 |
27.09665 |
3.2879 |
478.08023 |
20.6 |
27.49156 |
|
11 |
28.43861 |
3.1358 |
1818.14246 |
78.3 |
61.13258 |
|
12 |
30.26863 |
2.9502 |
348.22635 |
15.0 |
30.86639 |
|
13 |
31.73924 |
2.8168 |
206.16594 |
8.9 |
46.91195 |
|
14 |
32.93647 |
2.7171 |
913.00397 |
39.3 |
47.52384 |
|
15 |
34.41962 |
2.6033 |
334.62186 |
14.4 |
42.44746 |
|
16 |
35.26900 |
2.5426 |
419.49820 |
18.1 |
45.93488 |
|
17 |
37.57309 |
2.3918 |
123.70772 |
5.3 |
58.43742 |
|
18 |
38.32826 |
2.3464 |
388.26270 |
16.7 |
79.00870 |
|
19 |
39.00175 |
2.3074 |
122.87834 |
5.3 |
70.42496 |
|
20 |
39.43312 |
2.2831 |
186.95549 |
8.1 |
50.82530 |
|
21 |
41.57137 |
2.1705 |
309.29745 |
13.3 |
35.00128 |
|
22 |
44.12355 |
2.0507 |
151.09550 |
6.5 |
40.42738 |
|
23 |
44.73776 |
2.0239 |
240.62849 |
10.4 |
39.05456 |
|
24 |
47.31220 |
1.9196 |
152.30035 |
6.6 |
49.34343 |
|
25 |
47.83506 |
1.8999 |
100.43645 |
4.3 |
50.98917 |
|
26 |
55.42240 |
1.6564 |
214.47209 |
9.2 |
100.50880 |
|
27 |
58.20283 |
1.5837 |
135.95033 |
5.9 |
26.14739 |
|
28 |
64.48856 |
1.4437 |
221.57227 |
9.5 |
45.81075 |
Para generar un fichero de entrada a los programas de asignación de índices de Miller a los máximos de difracción (DICVOL91 y TREOR90), guarda en tu ordenador y modifica adecuadamente los ficheros ejemplo ejemTRE.inp y ejemDIC.dic.
