Figure 3
Significance of anomalous signal in a three-wavelength MAD data set (peak, edge, remote). (a) Normal probability plot of anomalous differences δanom = (I+ − I−)/[σ2(I+) + σ2(I−)]1/2 for each wavelength. The central slope indicates the strength of the anomalous signal relative to the estimated errors, Peak > Remote > Edge. (b) Correlation coefficients between pairs of different wavelengths: filled circles, peak to edge; diamonds, edge to remote; open circles, peak to remote. The dashed line is the correlation coefficient between dispersive differences, peak–remote to edge–remote. (c) Correlation coefficients between random half data sets with the peak data set: filled circles, anomalous differences (acentric); open circles, Bijvoet differences for centric data (should be 0); diamonds, 〈I〉, showing decrease in the quality of the intensities themselves at high resolution. |