Figure 4
AUSPEX plots of the low-angle data subset of PDB entry 8g0s. Top: Fobs/σ(Fobs). Bottom: Iobs/σ(Iobs). Red dots are beamstop shadow outliers identified by statistical tests (equations 2–5) alone with a threshold of 10−2. Blue dots are NEMOs identified by our method derived from semi-supervised clustering. Observations that are not NEMOs can be falsely identified as outliers by statistical tests. Observations that are NEMOs can escape the statistical tests due to too many outliers disrupting the absolute scaling. Decreasing the threshold leads to an increased rate of false negatives. In this instance, our clustering-derived method successfully identified all NEMOs with perfect metrics. |