R_scripts

Some scripts for XRPD data processing

Whad do we do

Data conversion and scaling takes single diffraction pattern in input and after a SG filtering (m = 0, p = 2, w = 5) produces four data matrices:

• Raw smoothed data
• Derived smoothed data with SG filtering (m = 1, p = 2, w = 5)
• Autoscaled / Standardized raw smoothed data
• Derived and autoscaled smoothed data Data matrices are then exported in .xlsx files with headers.

Data conversion and scaling 2 takes an .xlsx data matrix and converts it recursively to single .txt files