Refinement Workflow

Some common tasks
Although the crystallographic workflow - solve, refine, check, prepare images, tables and reports - appears to be fairly straightforward, in reality things are often much more complicated. This reference section of the manual provides more in-depth descriptions of common tasks and how to do them in Olex2.

Loading Data

Opening a structure in Olex2

Space Group Determination

How to determine the Space Group in Olex2

Structure Solution

General notes about structure solution in Olex2

Structure Refinement

Notes about Structure Refinement

Model Building

Model building in Crystallography

Symmetry Operations

Growing, moving, fragement assembly

Using Maps and Masks

Electron density maps and Solvent Masks

Geometric Analysis of Structures

Get (bond) distances and angles, π-π interactions, overlays etc

Twinned Structures

How to deal with twinning

Restraints and Constraints

How to use Restraints and Constraints