Evaluation and Manipulation Tools
The analyst's every day basic mathematical methods are integrated into the mathematics module of panorama Pro by default. With all other products, this is an optional add-on module.
All 2D and 3D spectroscopic data can be manipulated with just a few mouse clicks. Manipulation operations can be undone and redone with ease unlimited times. Frequently used mathematical operations are automatically stored in a math operation history and can be applied to subsequent data sets.
All data manipulations are logged in an audit trail. This audit trail is attached to the manipulated object for full CFR 21 part 11 compliance. The change control history of an object can be tracked easily in the audit trail window.
The following mathematical functions are available:
- Absorbance/Transmittance
- ATR correction
- Multiplicative scatter correction
- Standard normal variate correction
- Exponential functions
- Smoothing
- Baseline correction
- Normalization
- Adjust x-axis
- Zapping
- Cutting
- Arithmetic calculation
- Spectrum arithmetics
- Averaging
- Noise statistics
- Find Peaks
- User defined peak evaluation
- Detrending
- Stretch x-Axis
- Data Point Manipulation
- Thickness Correction
- Advanced 2-Point Baseline Correction
- Unit Conversion for X- and Y-Axis
- and more...
The list of mathematical functions is subsequently enhanced by us and a plugin concept allows the creation/extension of the methods by your own custom methods.
Basic Chemometric Analysis Tools
For basic chemometric approaches, e.g. in UV/VIS and IR spectroscopy, a set of polynomial fit functions (linear, square, cubic etc.) are available to derive parameters like the concentration from a peak, peak area or peak ratio. For advanced approaches a user defined formula under consideration of typcial spectrum characteristics and values can be used for evluation.
A wizard driven user interface guides you through the steps of calibration development. For details, please also review the Quantify Add-On Module, which shows the wizard for the more comprehensive multivariate data analysis methods.