Remote Visualization of XRay Diffraction Data from the X8C Beamline at NSLS

Description

This project allows for crystallographic data to be remotely collected from the XC8 Beamline located at Brookhaven National Laboratory. This beamline is one of many beamlines attached to the NSLS or National Sychrotron Light Source.

The purpose of this project was to demostrate that crystalographic data could be collected from the beamline without requiring a site visit. In the past if a sample was to be examined a researcher would have to bring the sample to the beamline, have if mounted and then collect the data. This results in an expensive way to collect of this type of data.

The solution that this project demostrates is a method of remotely collecting the data and processing it as it is collected. The project consists of an interface which allows for some control over the beamline remotely over the internet. The data collection instrumentation is connected to the interface over the internet via BSD sockets.

The data is collected by rotating the sample about a metal shaft on which the sample is mounted. The shaft is rotated a small amount and is exposed to a synchronton Xray source. The resulting diffraction patterns from the lattice structure of the atoms is collected by a CCD camera. By rotating the sample a certain number of degrees, dependent of the symmetry of the sample, the whole structure of the sample can be determined.

As the data is collected, the user can process the incoming data, which consists of successive CCD images of X-Ray diffraction patterns from a the sample. The interface allows for some basic processing of the image including thresholding, gamma correction, and psuedocoloring. In addition the reflection of the atoms in the sample, called Bragg spots can be examined. This examination spots indicates how good the sample is, and also indicates any problems with the sample. Processing of the Bragg spots includes 3D intensity plotting, profiling and volume visualization over the past N samples.

In some cases the sample will be destroyed during collection, by the intense radiation of the NSLS. In this case the interface can detect tha a sample has been destroyed and will inform the user.

The overall interface is quite good at collection and some inital image processing of the data. Tighter control of the beamline is a future goal, and would allow a user to collect the required data without mandating a site visit.

Collaborators