Fit result
| Overall status | Success |
| time | 1.1 s |
| iterations | 12 |
| reduced χ² | 7.53 |
| Rwp | 11.39 % |
| Rwp, d1a | 8.65 % |
| Rwp, lab | 17.39 % |
Fitted parameters
| # | datablock | category | entry | parameter | units | start | value | s.u. | change |
|---|---|---|---|---|---|---|---|---|---|
| 1 | pbso4 | cell | length_ | Å | 8.47734 | 8.47195 | 0.00016 | 0.1% ↓ | |
| 2 | pbso4 | cell | length_ | Å | 5.39628 | 5.39297 | 0.00010 | 0.1% ↓ | |
| 3 | pbso4 | cell | length_ | Å | 6.95679 | 6.95312 | 0.00014 | 0.1% ↓ | |
| 4 | d1a | peak | broad_ | deg² | 0.2 | 0.168 | 0.007 | 16.2% ↓ | |
| 5 | d1a | peak | broad_ | deg² | -0.5 | -0.370 | 0.014 | 25.9% ↑ | |
| 6 | d1a | peak | broad_ | deg² | 0.4 | 0.368 | 0.008 | 7.9% ↓ | |
| 7 | d1a | peak | mixing_ | 0.5 | 0.427 | 0.014 | 14.7% ↓ | ||
| 8 | d1a | instrument | calib_ | deg | -0.0342807 | -0.1027 | 0.0017 | 199.7% ↓ | |
| 9 | d1a | linked_ | pbso4 | scale | 1.12556 | 1.219 | 0.007 | 8.3% ↑ | |
| 10 | d1a | background | 1 | intensity | 209.526 | 209 | 8 | ||
| 11 | d1a | background | 2 | intensity | 197.257 | 197 | 6 | 0.1% ↑ | |
| 12 | d1a | background | 3 | intensity | 194.708 | 194 | 4 | 0.2% ↓ | |
| 13 | d1a | background | 4 | intensity | 194.993 | 194 | 3 | 0.3% ↓ | |
| 14 | d1a | background | 5 | intensity | 228.964 | 219 | 3 | 4.3% ↓ | |
| 15 | d1a | background | 6 | intensity | 206.14 | 199.6 | 1.2 | 3.2% ↓ | |
| 16 | d1a | background | 7 | intensity | 241.286 | 221.2 | 1.8 | 8.3% ↓ | |
| 17 | d1a | background | 8 | intensity | 188.917 | 187 | 4 | 0.8% ↓ | |
| 18 | lab | peak | broad_ | deg² | 0.02 | 0.301 | 0.013 | 1.40×10³ % ↑ | |
| 19 | lab | peak | broad_ | deg² | -0.02 | -0.183 | 0.010 | 817.0% ↓ | |
| 20 | lab | peak | broad_ | deg² | 0.008 | 0.0371 | 0.0017 | 363.8% ↑ | |
| 21 | lab | peak | mixing_ | 0.5 | 0.695 | 0.014 | 39.1% ↑ | ||
| 22 | lab | instrument | calib_ | deg | -0.0619219 | -0.0797 | 0.0006 | 28.7% ↓ | |
| 23 | lab | linked_ | pbso4 | scale | 6.19×10⁻⁴ | 8.59×10⁻⁴ | 0.04×10⁻⁴ | 38.6% ↑ | |
| 24 | lab | background | 1 | coef | 157.864 | 107.5 | 1.2 | 31.9% ↓ | |
| 25 | lab | background | 2 | coef | 31.9439 | 31.8 | 1.7 | 0.5% ↓ | |
| 26 | lab | background | 3 | coef | 3.62214 | 21.4 | 1.5 | 491.0% ↑ | |
| 27 | lab | background | 4 | coef | 23.4465 | 13.0 | 1.5 | 44.6% ↓ | |
| 28 | lab | background | 5 | coef | -15.9362 | -10.5 | 1.3 | 34.3% ↑ | |
| 29 | lab | background | 6 | coef | -2.92349 | -1.7 | 1.3 | 43.2% ↑ |
- startthe value before the fit
- valuethe fitted value
- s.u.its standard uncertainty
- changehow far the fit moved it, in % of the start: ↑ up, ↓ down