LabSolutions IR Software
Time course software
The time course program is used to collect spectra in regular intervals and creates a time course dataset used to follow reactions as a function of time. Changes in peak height and peak area can be used to calculate values related to reaction kinetics.
Time course information is saved and displayed in 3D (bird's eye view) or in a contour plot. It can be recalculated by modifying parameters.
The scan interval is dependent on resolution, number of scans and mirror speed.
The fastest speed under a 16cm-1 resolution and a mirror speed of 9mm/s is 7 seconds for 1 accumulated scan. The time course software includes a 3D Presentation function.
The Mapping software allows one to map absorption information on a sample surface as a function of position when using the SHIMADZU AIM-8800 Infrared Microscope.
Mapping parameters, such as the mapping range, the scan intervals, and the background positions, can be set on the composite images. Area mapping, line mapping and random mapping modes are supported.
In addition to mapping in the conventional transmittance and reflectance modes, micro-ATR mapping with an optional ATR objective is also available. From the acquired mapping data, it is possible to extract spectra and to perform calculations for functional-group mappings for specific peaks. The data can be displayed as 3D images or contour plots, or in spectral overlay mode. Mapping program includes a 3D Presentation function.
PLS Quantitation program
PLS (partial least squares) quantitation is a chemometrics method that, like multiple linear regression analysis, is widely used for the simultaneous quantitation of multiple components. The PLS quantitation program incorporates PLS I and PLS II methods. It is possible to display calculation values based on input values. PLS factors are based on "PRESS" values, loading vectors, and score values. Analysis can be performed on the regression equations obtained with the PLS method.
Curve-Fitting (Peak-Splitting) program
Usually, absorption bands in infrared spectra consist of overlapping peaks. The curve-fitting (peak-splitting) program can be used to separate absorption bands into individual peaks, separate peaks that have been influenced by hydrogen bonding, and identify the peaks of functional groups that are hidden by absorption bands. Six types of curves, such as Gaussian, Lorentzian, and Gaussian+Lorentzian, are available for separation analysis. The curve can be selected in accordance with the form of the peaks in the absorption band. The separated component peaks are displayed together with the resultant spectra, making it possible to accurately evaluate the separation.
3D presentation program
The 3D presentation program offers the following functionality
Changes the method of displaying data
- Data can be displayed in bird's eye view (3D), as an intensity distribution or using contour lines, as a spectral overlay, or rotated.
3D data processing
- Changes at specific wavenumbers can be isolated.
- Functions include data extraction, data points thinning, smoothing,zero-baseline, background correction, normalization, log conversion, first- or second-order derivative, and ATR correction.
Creation of 3D data from spectra
- Spectra measured at fixed intervals, such as by repeated measurements, can be arranged consecutively to create 3D data.
CLASS-Agent connection kit
This is a program to connect LabSolutions IR (File edition) to the CLASS-Agent system. Spectra collected using LabSolutions IR are managed in an existing CLASS-Agent database. The database enables data management for the entire recording life cycle, which consists of the creation (measurement), inspection, approval, storage, browsing, backup, and disposal of analysis data.
CLASS-Agent Manager and Public Agent are required.
- Only spectra are saved in the CLASS-Agent database. Mapping data, Time course data, Calibration curve and Quantitation result tables cannot be stored.
The Macro Platform is required to run the customized macro programs created by SHIMADZU (for a fee). If, for example, you wish to perform routine work in which certain functions are used in a pre-determined order, or you wish to run an automatic measurement system in combination with an auto sample changer, please contact your SHIMADZU representative for details.