From the automated structure determination plugin AutoChem

When it is online mode, Autochem processes fully automatic structure determination and refinement during data collection. It automatically processes every 25 frames and it reducts data, updates files *.hkl, *.ins and *.cif_od and determine and refine a structure. Users can confirm the results of structre determination even during data collection. AutoChem is an automatic structure analysis program in a narrow sense, but in a broad sense, it processes seamlessly from diffraction image collection to structure determination and it can give feedback and show results in real time during data collection. AutoChem automatically selects multiple optimal softwares with Direct method (SHELXT, SIR), Patterson method and Charge-flipping method to maximize an ability of structure determination. Users are also able to solve and refine structure interactively using Olex2 and make custom reports with easy operations.




Single Crystal X-ray Diffractometers   XtaLAB Series

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