dials.discover_better_experimental_model¶
Introduction¶
Search for a better beam centre using the results of spot finding. Based on method of Sauter et al., J. Appl. Cryst. 37, 399-409 (2004).
Examples:
sphinx.build datablock.json strong.pickle
Basic parameters¶
nproc = Auto
plot_search_scope = False
max_cell = None
scan_range = None
max_reflections = 10000
mm_search_scope = 4.0
wide_search_binning = 2
n_macro_cycles = 1
output {
datablock = optimized_datablock.json
log = "dials.discover_better_experimental_model.log"
debug_log = "dials.discover_better_experimental_model.debug.log"
}
Full parameter definitions¶
nproc = Auto
.type = int(value_min=1)
plot_search_scope = False
.type = bool
max_cell = None
.help = "Known max cell (otherwise will compute from spot positions)"
.type = float
scan_range = None
.help = "The range of images to use in indexing. Number of arguments must be"
"a factor of two. Specifying 0 0\" will use all images\" by"
"default. The given range follows C conventions (e.g. j0 <= j < j1)."
.type = ints(size=2)
.multiple = True
max_reflections = 10000
.help = "Maximum number of reflections to use in the search for better"
"experimental model. If the number of input reflections is greater"
"then a random subset of reflections will be used."
.type = int(value_min=1)
mm_search_scope = 4.0
.help = "Global radius of origin offset search."
.type = float(value_min=0)
wide_search_binning = 2
.help = "Modify the coarseness of the wide grid search for the beam centre."
.type = float(value_min=0)
n_macro_cycles = 1
.help = "Number of macro cycles for an iterative beam centre search."
.type = int
output {
datablock = optimized_datablock.json
.type = path
log = "dials.discover_better_experimental_model.log"
.type = str
debug_log = "dials.discover_better_experimental_model.debug.log"
.type = str
}