OrCa: Orthogonality Calculator

Developing orthogonal separations requires being able to measure orthogonality
How do you do that?

Mark's Presentation on Orthogonal Separations at Pittcon

also see: M. R. Schure, J. M. Davis Orthogonal Separations:
Comparison of Orthogonality Metrics through Statistical Analysis
Journal of Chromatography A, 1414 (2015) 60-76.

Send inquiries regarding purchasing OrCa or getting a trial copy to kroungold.analytical@gmail.com

OrCa allows the calculation of various orthogonality metrics for both single dimension
and multidimensional chromatography. The features present in OrCa include:

For 1D chromatography:

• Calculation of the box counting (fractal) dimension, an easy to use and interpret metric
• Nearest neighbor statistics
• Entropy from information theory with two discretization schemes

For 2D chromatography:

• Calculation of the box counting (fractal) dimension, an easy to use and interpret metric
• Pearson, Kendall and Spearman correlation coefficients
• Gilar’s surface coverage with two discretization schemes
• Relative convex hull area
• Nearest neighbor statistics
• Entropy per dimension, 2D entropy, mutual information and percent orthogonality
from information theory with two discretization schemes

This desktop application runs under Windows XP and Windows 7. It takes retention time data from a file and gives you all of the orthogonality metrics listed above.

The retention data is stored as a list of single retention times (1D) or a comma-separated variables list of retention time pairs (2D). The output is available as a copy-and-paste report-style output and a copy-and-paste spreadsheet into Excel. In addition, the plotting for 2D chromatography includes displaying the minimal spanning tree, the convex hull and the bins occupied for Gilar's surface coverage scheme.

As with all Kroungold software, any bug found will be fixed immediately.