Method for Indexing Crystalline Solid Forms

Crystalline solid forms may be characterized by their unit cell parameters through a process known as indexing. An embodiment of the invention searches for the unit cell parameters of a crystalline solid form using a Monte-Carlo algorithm that incorporates certain rules to reduce search space. Anoth...

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Bibliographische Detailangaben
Hauptverfasser:	STAHLY BARBARA C, BATES SIMON, IVANISEVIC IGOR
Format:	Patent
Sprache:	eng
Schlagworte:	AGRICULTURE ANIMAL HUSBANDRY BIOCIDES, e.g. AS DISINFECTANTS, AS PESTICIDES, AS HERBICIDES FISHING FORESTRY HUMAN NECESSITIES HUNTING INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES MEASURING PEST REPELLANTS OR ATTRACTANTS PHYSICS PLANT GROWTH REGULATORS PRESERVATION OF BODIES OF HUMANS OR ANIMALS OR PLANTS OR PARTSTHEREOF TESTING TRAPPING
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Beschreibung
Zusammenfassung:	Crystalline solid forms may be characterized by their unit cell parameters through a process known as indexing. An embodiment of the invention searches for the unit cell parameters of a crystalline solid form using a Monte-Carlo algorithm that incorporates certain rules to reduce search space. Another embodiment refines the results of the search to identify the correct unit cell parameters of the crystalline solid form. These methods may be automated, conveniently requiring little interaction from the user. The indexing method of the invention may be applied, for example, to distinguish between different crystalline solid forms of a substance.