README.txt

Indapamide.jdx
	Processed 1D 13C SSNMR spectrum of IND (JCAMP-DX format)

XRD
	Cif, .hkl and CheckCIF for WOCPEM_NEW
	Experimental PXRD Data

NMR_Data_IND.py
	Script used to plot the experimental data relative to the referenced calculated chemical shifts.

Magres Files
	.magres files for all structures

Referencing.xlsx
	Spreadsheet for scaling and subsequent referencing of VAGKUM A, VAGKUM B, WOCPEM and WOCPEM_NEW

RMSD.xlsx
	Spreadsheet for the scaling, referencing and RMSD calculation for WOCPEM 

