This documentation page refers to a previous release of DIALS (2.2).

# dials.align_crystal¶

## Introduction¶

Calculation of possible goniometer settings for re-alignment of crystal axes.

By default the program will attempt to calculate possible goniometer settings to align the primary crystal axes with the principle goniometer axis. Optionally vectors to align may be specified in pairs using the vector= parameter. If mode=main (default), then the first vector of a pair will be aligned along the principle goniometer axis, with the second vector placed in the plane containing the beam vector and the principle goniometer axis. This allows for rotation of the crystal around a principle crystal axis. If mode=cusp, then the first vector is aligned perpendicular to the beam and the principle goniometer axis, with the second vector placed in the plane containing the first crystal vector and the principle goniometer axis.

Examples:

dials.align_crystal models.expt

dials.align_crystal models.expt vector=0,0,1 vector=0,1,0

dials.align_crystal models.expt frame=direct


## Basic parameters¶

space_group = None
align {
mode = *main cusp
crystal {
vector = None
frame = *reciprocal direct
}
}
output {
json = align_crystal.json
}


## Full parameter definitions¶

space_group = None
.type = space_group
align {
mode = *main cusp
.type = choice
crystal {
vector = None
.type = str
.multiple = True
frame = *reciprocal direct
.type = choice
}
}
output {
json = align_crystal.json
.type = path
}