Fit result
| Overall status | Success |
| time | 0.12 s |
| iterations | 2 |
| stopped by | χ² change (4.62e-07) |
| last largest shift/s.u. | 0.0407 |
| reduced χ² | 3.86 |
| Rwp | 7.18 % |
| Rwp, sepd | 7.18 % |
Fitted parameters
| # | datablock | category | entry | parameter | units | start | value | s.u. | change |
|---|---|---|---|---|---|---|---|---|---|
| 1 | si | cell | length_ | Å | 5.4310 | 5.43082 | 7×10⁻⁵ | ||
| 2 | si | atom_ | Si | adp_ | Ų | 0.516 | 0.528 | 0.005 | 2.2% |
| 3 | sepd | peak | decay_ | 0.04 | 0.0402 | 3×10⁻⁴ | 0.4% | ||
| 4 | sepd | peak | decay_ | 0.01 | 0.0125 | 3×10⁻⁴ | 24.7% | ||
| 5 | sepd | peak | broad_ | µs² | 4.3254 | 5.5 | 0.5 | 27.4% | |
| 6 | sepd | peak | broad_ | µs²/Ų | 34.727 | 34.2 | 0.8 | 1.5% | |
| 7 | sepd | peak | broad_ | µs/Å | 1.6713 | 1.96 | 0.10 | 17.0% | |
| 8 | sepd | instrument | calib_ | µs | -8.8691 | -8.35 | 0.09 | 5.9% | |
| 9 | sepd | linked_ | si | scale | 381.58 | 382.7 | 1.2 | 0.3% | |
| 10 | sepd | background | 1 | intensity | 202.71 | 203.7 | 0.5 | 0.5% | |
| 11 | sepd | background | 2 | intensity | 107.85 | 108.2 | 0.5 | 0.3% | |
| 12 | sepd | background | 3 | intensity | 131.16 | 130.6 | 0.9 | 0.4% | |
| 13 | sepd | background | 4 | intensity | 119.08 | 119.3 | 1.5 | 0.1% | |
| 14 | sepd | background | 5 | intensity | 146.51 | 144 | 3 | 1.5% | |
| 15 | sepd | background | 6 | intensity | 129.15 | 129.4 | 1.4 | 0.2% | |
| 16 | sepd | background | 7 | intensity | 142.51 | 142 | 3 | 0.1% | |
| 17 | sepd | background | 8 | intensity | 155.59 | 154 | 9 | 1.2% | |
| 18 | sepd | background | 9 | intensity | 244.4 | 230 | 20 | 7.8% | |
| 19 | sepd | background | 10 | intensity | 184.73 | 185 | 7 | ||
| 20 | sepd | background | 11 | intensity | 160.56 | 161 | 5 | ||
| 21 | sepd | background | 12 | intensity | 180.82 | 181 | 7 | ||
| 22 | sepd | background | 13 | intensity | 193.32 | 193 | 15 | ||
| 23 | sepd | background | 14 | intensity | 209.91 | 210 | 30 |
- startthe value before the fit
- valuethe fitted value, where the least-squares fit ends: the weighted sum of squared residuals is smallest
- s.u.its standard uncertainty, the square root of its diagonal element of the fit's covariance matrix
- changehow far the fit moved it, in % of the start: up, down