Fit result

Overall statusSuccess
time0.033 s
iterations6
reduced χ²129.56
R(F²)32.69 %
wR(F²)26.94 %

Fitted parameters

#datablockcategoryentryparameterunitsstartvalues.u.change
1taurineatom_siteS1adp_isoŲ01.50.3
2taurineatom_siteO1adp_isoŲ02.360.18
3taurineatom_siteO2adp_isoŲ02.000.17
4taurineatom_siteO3adp_isoŲ01.610.16
5taurineatom_siteN1adp_isoŲ01.470.10
6taurineatom_siteH1adp_isoŲ02.20.3
7taurineatom_siteH2adp_isoŲ02.90.4
8taurineatom_siteH3adp_isoŲ02.70.3
9taurineatom_siteC1adp_isoŲ01.070.11
10taurineatom_siteH11adp_isoŲ03.90.4
11taurineatom_siteH12adp_isoŲ02.00.3
12taurineatom_siteC2adp_isoŲ01.300.12
13taurineatom_siteH21adp_isoŲ03.30.4
14taurineatom_siteH22adp_isoŲ04.00.4
15senju_1linked_structuretaurinescale0.8780612.010.06128.4% ↑
16senju_2linked_structuretaurinescale0.8125812.580.09217.4% ↑
17senju_3linked_structuretaurinescale1.440162.240.0555.6% ↑
18senju_4linked_structuretaurinescale0.8741521.940.07121.8% ↑
19senju_5linked_structuretaurinescale0.9923111.540.0455.0% ↑
20senju_6linked_structuretaurinescale1.011892.110.07108.4% ↑