A system and a method for compositional analysis

A method for producing analysis data indicative of presence of one or more predetermined components in a sample, the method comprising:

• directing a particle stream towards the sample,
• measuring a distribution of particles scattered from the sample as a function of at least a scattering angle the scattering angle related to each scattered particle being an angle between an arrival direction of the particle stream and a trajectory of the scattered particle under consideration, and
• producing the analysis data based on the measured distribution of the scattered particles and on reference information indicative of an effect of the one or more predetermined components on the distribution of the scattered particles, wherein the producing the analysis data comprises:
• maintaining a model for computationally simulating a scattering process where the particle stream is directed towards a simulation model sample having a simulation model composition of the predetermined components,
• simulating the scattering process with the model and varying the simulation model composition of the predetermined components until a difference between a simulated distribution of scattered particles and the measured distribution of the scattered particles fulfil a predetermined criterion, and
• setting the analysis data to be the simulation model composition with which the predetermined criterion is fulfilled.

A non-volatile computer readable medium encoded with a computer program for producing analysis data indicative of presence of one or more predetermined components in a sample, the computer program comprising computer executable instructions for controlling programmable processing equipment to:

• control source equipment to direct a particle stream towards the sample,
• control detector equipment to measure a distribution of particles scattered from the sample as a function of at least a scattering angle, the scattering angle related to each scattered particle being an angle between an arrival direction of the particle stream and a trajectory of the scattered particle under consideration, and
• produce the analysis data based on the measured distribution of the scattered particles and on reference information indicative of an effect of the one or more predetermined components on the distribution of the scattered particles, wherein the computer program comprises computer executable instructions for controlling the programmable processing equipment to:
• maintain a model for computationally simulating a scattering process where the particle stream is directed towards a simulation model sample having a simulation model composition of the predetermined components,
• simulate the scattering process with the model and vary the simulation model composition of the predetermined components until a difference between a simulated distribution of scattered particles and the measured distribution of the scattered particles fulfil a predetermined criterion, and
• set the analysis data to be the simulation model composition with which the predetermined criterion is fulfilled.