def resolution_filter_from_array(intensities, min_i_mean_over_sigma_mean,
min_cc_half):
"""Run the resolution filter using miller array data format."""
rparams = resolution_analysis.phil_defaults.extract().resolution
resolutionizer = resolution_analysis.Resolutionizer(intensities, rparams)
return _resolution_filter(resolutionizer, min_i_mean_over_sigma_mean,
min_cc_half)
def resolution_limit(i_obs, min_completeness, n_bins):
params = resolution_analysis.phil_defaults.extract().resolution
params.nbins = n_bins
r = resolution_analysis.Resolutionizer(i_obs, params)
return r.resolution(
resolution_analysis.metrics.COMPLETENESS, limit=min_completeness
)
def resolution_filter(self):
"""Filter arrays on resolution."""
if not self.params.d_min and self.params.min_completeness:
# Update self.params.d_min using resolution estimate
params = resolution_analysis.phil_defaults.extract().resolution
params.nbins = self.params.resolution_bins
r = resolution_analysis.Resolutionizer(self.intensities, params)
self.params.d_min = r.resolution(
resolution_analysis.metrics.COMPLETENESS,
limit=self.params.min_completeness,
).d_min
logger.info("Estimated d_min: %.2f", self.params.d_min)
if self.params.d_min or self.params.d_max:
sel = flex.bool(self.intensities.size(), True)
d_spacings = self.intensities.d_spacings().data()
if self.params.d_min:
sel &= d_spacings >= self.params.d_min
if self.params.d_max:
sel &= d_spacings <= self.params.d_max
self.intensities = self.intensities.select(sel)
self.dose = self.dose.select(sel)