Our computational scientists can derive more information than you ever thought possible from laboratory X-ray powder patterns. We have developed the first software capable of rapidly providing accurate structural information from standard laboratory X-ray powder diffraction (XRPD) data.

Our software enables us to quickly obtain structural information such as correct unit cell parameters, molecular packing information and electron density distribution within the unit cell. Leverage this information to speed your drug development and address manufacturing issues for your drug substance and drug product.

Information From XRPD Data

  • 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

Custom Development Services

We offer project-based custom software development and analytical instrumentation improvement in our areas of expertise, including automation, XRPD and Raman. Our scientists help you get the most out of your existing X-ray diffraction systems by improving data quality and productivity.