THE USE OF MAXIMUM-ENTROPY AND LIKELIHOOD RANKING TO DETERMINE THE CRYSTAL-STRUCTURE OF -DIMETHYL)AMINOBENZYLIDENE)-PYRAZOLIDINE-3,5-DIONE AT 1.4 ANGSTROM RESOLUTION FROM ELECTRON-DIFFRACTION AND HIGH-RESOLUTION ELECTRON-MICROSCOPY IMAGE DATA

The potential maps obtained by applying the method of combined entropy maximisation and likelihood ranking to electron diffraction data are compared with the results obtained from high-resolution electron micro scopy and molecular modelling for the non-linear optical material dime thyl)aminobenzylidene)-pyrazolidine-3-5-dione, C12H13N3O2. An excellen t agreement has been obtained. This reinforces claims that the maximum entropy (ME) method is a reliable means of structure determination fr om electron diffraction data, and hence of ascertaining the suitabilit y of organic molecules for second harmonic generation (SHG).