• Endeavour 1.7d

Endeavour is a powerful software for crystal structure solution, both from powder as well as single crystal diffraction data. Based on more than ten years of experience, the software is capable of solving many small to medium sized structures more or less on its own. The innovative concept combined with the elaborate user interface makes solution of crystal structures an almost routine process, especially for inorganic but also for many organic compounds.
Even unexperienced users can prepare and perform the structure solution calculation in a few steps: Simply follow the integrated "wizard" to enter the required data (unit cell parameters, chemical composition, diffraction data), and let Endeavour do the rest. The structure solution is performed using a special variant of the "direct-space" approach, namely a combined global optimization of the difference between calculated and observed diffraction data and of the potential energy of the system. Due to the additional usage of the potential energy, the method is much less sensitive to low-quality diffraction data than e.g. direct methods.

• Match! 1.10

Match! is an easy-to-use software for phase identification from powder diffraction data, which has become a daily task in material scientists work. Match! compares the powder diffraction pattern of your sample to a database containing reference patterns in order to identify the phases which are present. Single as well as multiple phases can be identified based on both peak data and raw (profile) data.
As reference database, you can apply the included free-of-charge IUCr/COD/AMCSD database and/or ICSD/Retrieve (if you have a valid licence), use any ICDD PDF product, and/or create a user database based on your own diffraction patterns. The user database patterns can be edited manually, imported from peak files, calculated from crystal structure data (e.g. CIF files), or imported from your colleague’s user database.

• Pearson’s Crystal Data

Pearson’s Crystal Data is a crystallographic database, edited by Pierre Villars and Karin Cenzual. It is published by ASM International, Materials Park, Ohio, USA. The "PCD" (as it is typically abbreviated) contains crystal structures of a large variety of inorganic materials and compounds. The collaboration between ASM International and Material Phases Data System, Vitznau, Switzerland (MPDS), aims to create and maintain the world’s largest critically evaluated "Non-organic database".

The current release 2009/10 of the "PCD" contains more than 180,000 structural data sets (including atom coordinates and displacement parameters, when determined) for more than 100,000 different phases, roughly 14,000 experimental powder diffraction patterns and about 167,000 calculated patterns. It achieves an ICSD coverage of more than 95%.

• MS Windows 98, ME, 2000, XP, Vista (NT 4 on request)
• Microsoft Internet Explorer 5.01 (or higher)
• 64 MB of RAM (or more)
• 100 megabytes of free disc space (or more)
• Graphics resolution: 1024 x 768, high color