A method of designing an experiment for analysing a material sample

摘要

A computer system 1 has a data base DB1 of analytical procedures for analysing a material sample 30 using radiation such as X-ray radiation in a diffractometer. The computer system requests a user to input to the system 1 information for identifying at least one desired parameter of the material sample 30. The computer system 1 uses this information to identify the possible analytical procedures for determining that desired parameter. An analytical procedure or procedures selected by the user and/or computer system is then simulated by the computer system to produce a first simulation of radiation leaving the sample. The selected analytical procedure is simulated again after the computer system has varied the influence of the desired parameter to produce a second simulation. The computer system then compares the first and second simulations to determine where the difference between the first and second simulations is greatest so as to enable an experiment to be conducted in the area or areas most sensitive to the desired parameter. IMAGE