Customizing Interpretation Rules and IR/RAMAN Band Frequencies
irAnalyze and RAMalyze are delivered with a complete set of default interpretation rules. Characteristic IR/RAMAN frequencies of functional groups are managed and they are organized in chemical substance classes. Administration of rules and corresponding structural fragments is performed in the built-in rule editor.
Advanced users or even researchers may adapt particular frequencies/ranges to meet their own research conditions. The built-in rule editor helps experts to create new or modify existing frequencies, functional groups and chemical classes. For convenience the rule editor also provides text search, copy&paste and drag&drop functionality.
New Features and Improvements
We subsequently improve the software to provide you with high quality tools. Some new features and improvements are listed below:
New Features
Result quality calculation has been updated to make different analyses comparable.
The rule database has been revised. Improved and new rule definitions are available now.
Rule definitions can now be browsed in the Rule Designer with basic License
Custom rules can be created from scratch and saved in new rule database. Use this feature to setup your fully personal set of rules.
Rule database changes can be tracked and undone. This new feature helps all rule database developers to keep track of changes. Subsequent optimization of the rule database is now easier than ever.
The Quality of Results is more distinct now
The quality of interpretation results is scaled between 0 and 100. Good results show a quality of 85-100.
Less important results are listed as well in order to let you evaluate yourself. Such results have a quality around 0-10.
Interpretation Rules have been improved
The rule data base is subsequently improved. Functional group definitions are updated and some new functional groups have been added.