Input data file formats

NMR and UV 1:1, 1:2, 2:1

Rows

• Row 1 - Headers (required)

• Rows 2-N - Data

Columns

• Column 1 - Host concentration

• Column 2 - Guest concentration

• Columns 2-X - Measured (raw) data with X = n + 2, where n is the number of chemical shifts measured

Example table

Host	Guest	Variable 1	Variable 2	Variable N
Required	Required	Required	Optional	...
...	...	...	...	...

NMR and UV Dimer/CoEK Aggregation

Example table

H total	Variable 1	Variable 2	Variable N
Required	Required	Optional	...
...	...	...	...