Term | Description |
Batch | Within
the hierarchy of the SHARP
input file: a time slice of data - usually a complete dataset of a
specific crystal at a specific wavelength |
BDG_home | This variable points to the directory where
SHARP/autoSHARP was installed. It is not
necessary to set this variable (e.g. in your ~/.cshrc file), but
we use it throughout the documentation. |
Compound | Within
the hierarchy of the SHARP
input file: a chemically unique entity. |
Crystal | Within
the hierarchy of the SHARP
input file: an actual, physical crystal |
C-SITE | "chemical" site, ie the position of a
G-SITE with a chemical identity attached to
it, eg "Se" or "Hg". |
G-SITE | so-called "geometric site" which
describes a position in your unit cell in terms of fractional
coordinates x, y and z. |
Reference | the dataset for which we assume a zero
non-isomorphism and relative to which all other datasets are
scaled. Also, the dataset that defines the cell parameters. |
Residual map |
shows gradient component of
log-likelihood. This map has positive density where something needs
to be added to the current model, and negative density where it
needs to be removed. |
SHARP/autoSHARP site
administrator | The person responsible at your site for
installing, maintaining and configuring your SHARP/autoSHARP
installation |
SHARP/autoSHARP account | The user name and password on the httpd that
allows you to use SHARP/autoSHARP. This has nothing to do with your UNIX account! |
SIN file | shorthand
for SHARP INput
file. A typical place to find these is your ~/sharpfiles/cardfiles directory. |
T-SITE | "tunable" site, ie a C-SITE with additional parameters occupancy and
temperature factor. |
Wavelength | Within
the hierarchy of the SHARP
input file: the wavelength data was collected on a specific crystal. |