This is an archive copy of the IUCr web site dating from 2008. For current content please visit
https://www.iucr.org.
Category phasing_set
| Top | Dictionary | Category Groups | Categories | Items | Data |
Category Description
Data items in the PHASING_SET category record details about
the data sets used in a phasing experiment. A given data set
may be used in a number of different ways; for instance, a
single data set could be used both as an isomorphous derivative
and as a component of a multi-wavelength calculation. This
category establishes identifiers for each data set, and permits
the archiving of a subset of experimental information for each
data set (cell constants, wavelength, temperature, etc.)
This and related categories of data items are provided so that
derivative intensity and phase information can be stored in
the same data block as the information for the refined
structure.
If it is deemed desirable to archive all possible experimental
information for each data set (raw data sets, crystal growth
conditions, etc.) those data items should be recorded in a
separate data block.
Category Examples
Example 1:
Example 1 - based on laboratory records for a Hg/Pt derivative of
protein NS1.
_phasing_set.id 'NS1-96'
_phasing_set.cell_angle_alpha 90.0
_phasing_set.cell_angle_beta 90.0
_phasing_set.cell_angle_gamma 90.0
_phasing_set.cell_length_a 38.63
_phasing_set.cell_length_b 38.63
_phasing_set.cell_length_c 82.88
_phasing_set.radiation_wavelength 1.5145
_phasing_set.detector_type 'image plate'
_phasing_set.detector_specific 'RXII'
Key Category Items
Items in Category phasing_set
| Top | Dictionary | Category Groups | Categories | Items | Data |
This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu