 | Acta Crystallographica Section A Acta Crystallographica Section A FOUNDATIONS AND ADVANCES |
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![[Figure 1]](ae5018fig1mag.jpg)
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Figure 1
Diagnostic plots for anharmonic motion refinements of 20 K RDX charge-density data set 8 (a), (b); 120 K RDX charge-density data set 10 (c), (d); cdp7 (anharmonic motion refinements of 120 K RDX data with statistical weights), (g), (h); and 298 K RDX data set 12 (e), (f): plot of GoFs (red) and aGoFs (green) in ten bins of the experimental standard uncertainties (a), (c), (e), (g), and correlation coefficients between squared residuals and squared experimental standard uncertainties, ![[{\rm cc}[\zeta^2,\sigma^2(I_{\rm o})]]](teximages/ae5018fi104.gif) (b), (d), (f), (h). The largest correlation coefficient in bin 10 (b), (f), (h) corrupts the GoFs and artificially lowers the GoFs in this bin from the appropriate large values indicated by the aGoFs [green, (a), (e), (g)]. For more information see text. |
![[Figure 1]](ae5018fig1.jpg)
| FOUNDATIONS ADVANCES |
ISSN: 2053-2733
