Jana2006 01.07.2011

Jana2006 is a crys­tal­lo­graph­ic pro­gram fo­cused to so­lu­tion, re­fine­ment and in­ter­pre­ta­tion of dif­fi­cult, es­pe­cial­ly mod­u­lat­ed struc­tures. It cal­cu­lates struc­tures hav­ing up to three mod­u­la­tion vec­tors from pow­der as well as sin­gle crys­tal da­ta mea­sured with X-ray or neu­tron diffrac­tion. The in­put diffrac­tion da­ta can be un­lim­it­ed­ly com­bined, the com­bi­na­tion of pow­der neu­tron da­ta with sin­gle crys­tal X-ray da­ta be­ing a typ­i­cal ex­am­ple. The struc­ture so­lu­tion can be done us­ing the built-in charge flip­ping al­go­rithm or by call­ing an ex­ter­nal di­rect meth­ods pro­gram. Jana can han­dle mul­ti­phase struc­tures (for both pow­der and sin­gle crys­tal da­ta), mero­hedric twins as well as twins with par­tial over­lap of diffrac­tion spots, com­men­su­rate and com­pos­ite struc­tures.