DifCal vs Lattica

Calculate diffraction angles for a particular crystal with a defined orientation matrix. New crystals can be added to the database. Energy/wavelength can be changed. Currently knows about 4-circle, Z-Axis and Theta-Theta diffractometers as well as 2-circle, powder and amorphous diffraction modes. Current crystals include silicon, diamond, GaAs, Muscovite (mica), graphite, many 3-5 and 2-6 crystals. There are separate screens for setting the crystal (or creating a new one), defining the orientation matrix, defining the diffractometer mode, and calculating either angles, given h,k,l, or hkl given a set of angles. With the larger screen of the iPad all the controls are visible on a single page.

Save crystal structures, organize them in a personal library, and inspect unit cells and atomic positions in 3D. CrystalStructure helps you keep lattice parameters, space groups, and atomic sites together so you can quickly return to structures from papers, textbooks, or your own notes.