More information than you ever thought possible from laboratory X-ray powder patterns...
SSCI has developed cutting edge computational approaches to X-ray powder pattern analysis. SSCI's new CodeX Software Suite is the first software capable of rapidly providing accurate structural information from standard laboratory x-ray powder diffraction data!
SSCI's CodeX Software enables SSCI scientists to quickly obtain structural information such as correct unit cell parameters, molecular packing information, and electron density distribution within the unit cell. This information can be used in many ways to speed your drug development and address manufacturing issues for both drug substance and drug product. Please see Case Studies for selected examples.
- unit cell parameters, molecular packing, and electron density distribution
- prediction of density, stability, hygroscopicity, and other properties
- analysis of microstructure, average crystal size and strain
- analysis of x-ray amorphous materials and determination of their crystalline parents
- distinction between true amorphous and disordered crystalline materials
- quantitative (cGMP) and semi-quantitative (non GMP) mixture analysis
Clients can send either
- XRPD data for SSCI scientists to analyze
or
- Drug substance or drug product and SSCI will carry out the XRPD analysis as well as the calculational studies.
For more information on computational services or for a software demo please contact us. (link to contact page)
SSCI can carry out a full polymorph screen and provide structural information and property prediction for each solid form found. Alternatively, SSCI can carry out a VirtualScreen™. In this screen, our clients provide us with their polymorph screening XRPD data, and we determine actual solid forms present and determine unit cell parameters, molecular packing, electron density distribution, and property prediction for each of the forms.
SSCI offers project-based custom software development and analytical instrumentation improvement in our areas of expertise, including automation, XRPD, and Raman. We can work with you to get the most out of your existing x-ray diffraction systems by improving data quality and productivity.
SSCI offers a partnership with selected companies to share our proprietary crystallization methods and software technologies. Contact us for more information.