Table 6. Results of the two-dimensional pattern fitting using MATLAB for the experimental data of diamond (POWGEN) and comparison with the standard one-dimensional refinement using FullProf .
| Two-dimensional | FullProf | |
|---|---|---|
| No. of parameters | 5 | 7 |
| No. of data points | ∼154000 | 4730 |
| No. of reflections | 96 | 95 |
| Calculation time (s)† | ∼210 | ∼30 |
| Lattice parameter (Å) | 3.56788 (7) | 3.56745 (4) |
| Background | Manually subtracted and smoothed | |
| B iso | 0.261 (3) | 0.115 (8) |
| S | 0.00369 (2) | Not comparable |
| u 1 | 0.895 (3) | |
| Δadd | 0.00120 (1) | |
| R p | 9.99 | 9.6 |
†
ASUS K73S Notebook with Intel Core i5-2410M (2 Cores @ 2.3 GHz) and 6 GB of RAM.