Copyright © 2001-2005 by Clemens Vonrhein
and the Buster Development Group.
All rights reserved.
| 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. |