W0182

Powder Diffraction using a Single Crystal Diffractometer and Area Detector for Phase Identification. Kingsley Smith, Bob He, Bruker AXS, Inc, 5465 East Cheryl Parkway, Madison, WI 53711-5373 USA.

Sometimes, even a crystallographer needs to collect a powder pattern on various samples or polymorphs. Samples can be: mounted single crystals, filled capillary, or small reflection mount, depending upon the amount of material available. Using a typical single crystal diffractometer with an area detector, we will explore the various data collection strategies to obtain the highest accuracy powder spectrum. Despite the collecting of multiple frames at different 2T "swing" angles, a single composite image, analogous to the old Debye-Scherrer film cameras, is present to the user. A single region of interest (ROI) is selected by the user on the composite image. We will discuss the algorithms used in converting intensities of frame pixels into a single diffraction spectrum, particularly the "normalized bin" algorithm of accurately converting every intensity count to the 2T spectrum and the "merge" algorithm of combining multiple frame images into a single diffraction spectrum.