LABELIT Web Server Now Open to the Public (2 June 2004)

General Description

LABELIT is an autoindexing program designed to correct three commonly experienced problems: getting the wrong beam center, finding a unit cell that is too large, and improperly identifying the allowed Bravais symmetry. Our underlying motivation is to develop more robust tools that can be used at synchrotrons for collecting and analyzing data, even in an automated setting. If successful, LABELIT can be operated with minimal user input, and will return its results generally within 30-60 seconds.

Clicking the "Index New Data" link will permit you to upload two oscillation images from your computer. When the results are ready they may be accessed through the "View Data" link producing tabular and graphical displays.

LABELIT is not an integration program. But once the data are indexed a command script may be downloaded, allowing you to reduce them on your own unix/linux computer with MOSFLM (v.6.2.6 recommended).

A Cooperative Approach

Our biggest challenge has been to develop a program that will produce a definitive result (indexing success or failure) even with the most outrageous experimental data. We are therefore eager to see the datasets uploaded to this web site, to help us understand possible data pathologies and produce a better program. Your data and comments will help with this research.

Support for IRIX will end Dec. 1, 2007

Legal Matters

Web site policy as specified by Lawrence Berkeley National Lab is explained here.

Acknowledgements

Portions of this web service rely on crystallography programs developed by others, including

  • The DISTL package for identifying Bragg spots, developed by A. Deacon, Z. Zhang and H. van den Bedem at SSRL.
  • The cmtz library and MOSFLM, components of the CCP4 5.0.2 package.
  • The CBF library for reading diffraction images.
  • University of Maryland's Approximate Nearest Neighbor library to efficiently find spot neighbors with the kd-tree algorithm.