Question

What is the importance of the computer based identification of crystalline phases in powder diffraction patterns ?

Answer 1

Consider you have an unknown material and you have to identify what material is it. For that, you will have to take powder x-ray diffraction of it. Once you obtain the data of powder xrd, you will have to plot the data using some relevant software like Xpert hiscore. This kind of software not only helps in plotting the data, but also helps in analysing it. There will be database of many crystallographic information file called as cif files which will help you to determine the unknown material. You can match your experimental data with the cif files of material which you are expecting it to form and check whether your material has formed or not. If your material is completely new, then also you can identify the material using refinement softwares available. This helps you to know the exact composition of the material.