Fit result
| Overall status | Success |
| time | 0.0044 s |
| iterations | 3 |
| reduced χ² | 1066.69 |
| R(F²) | 34.37 % |
| wR(F²) | 46.51 % |
Fitted parameters
| # | datablock | category | entry | parameter | units | start | value | s.u. | change |
|---|---|---|---|---|---|---|---|---|---|
| 1 | pr2nio4 | atom_ | Pr | fract_ | 0.360262 | 0.3600 | 0.0009 | 0.1% ↓ | |
| 2 | pr2nio4 | atom_ | O2 | fract_ | 0.174181 | 0.1744 | 0.0011 | 0.1% ↑ | |
| 3 | pr2nio4 | atom_ | Od | fract_ | 0.0526114 | 0.053 | 0.010 | 0.9% ↑ | |
| 4 | pr2nio4 | atom_ | Od | fract_ | 0.0670814 | 0.067 | 0.010 | 0.8% ↓ | |
| 5 | pr2nio4 | atom_ | Od | fract_ | 0.172718 | 0.172 | 0.004 | 0.2% ↓ | |
| 6 | pr2nio4 | atom_ | Od | adp_ | Ų | 0 | -0.3 | 0.5 | |
| 7 | llb_ | linked_ | pr2nio4 | scale | 1.88728 | 1.89 | 0.08 |
- 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