Fit result

Overall statusSuccess
time0.027 s
iterations5
reduced χ²73.55
R(F²)26.38 %
wR(F²)20.26 %

Fitted parameters

#datablockcategoryentryparameterunitsstartvalues.u.change
1taurineatom_siteS1adp_isoŲ1.515281.60.25.9% ↑
2taurineatom_siteO1adp_isoŲ2.363312.880.1321.7% ↑
3taurineatom_siteO2adp_isoŲ2.000642.810.1340.4% ↑
4taurineatom_siteO3adp_isoŲ1.612012.170.1234.7% ↑
5taurineatom_siteN1adp_isoŲ1.467331.940.0832.1% ↑
6taurineatom_siteH1adp_isoŲ2.158113.40.356.8% ↑
7taurineatom_siteH2adp_isoŲ2.907743.90.334.1% ↑
8taurineatom_siteH3adp_isoŲ2.683133.40.326.6% ↑
9taurineatom_siteC1adp_isoŲ1.069291.660.0954.8% ↑
10taurineatom_siteH11adp_isoŲ3.877433.80.32.1% ↓
11taurineatom_siteH12adp_isoŲ2.037363.20.359.3% ↑
12taurineatom_siteC2adp_isoŲ1.301542.000.1153.5% ↑
13taurineatom_siteH21adp_isoŲ3.347244.00.320.0% ↑
14taurineatom_siteH22adp_isoŲ3.989354.20.34.2% ↑
15senju_1linked_structuretaurinescale2.005732.860.0842.5% ↑
16senju_1extinctioncoefficient_1100.0650.005
17senju_1extinctioncoefficient_2200.00780.0016
18senju_1extinctioncoefficient_3300.0130.002
19senju_2linked_structuretaurinescale2.578923.680.1142.7% ↑
20senju_3linked_structuretaurinescale2.241373.430.0953.1% ↑
21senju_4linked_structuretaurinescale1.938642.800.0944.4% ↑
22senju_5linked_structuretaurinescale1.538532.920.0989.9% ↑
23senju_6linked_structuretaurinescale2.109223.020.0943.4% ↑