Page 18 - Shimadzu IRAffinity-1S
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Software Options


            LabSolutions IR incorporates data processing functions such as Advanced ATR correction and Kubelka-Munk conversion, quantitation   LabSolutions IR
            functions such as the multi-point calibration curve method and the CLS method, as well as the spectral searching function as   Curve-Fitting (Peak-Splitting) program     (P/N 206-74561-91)
            standard features. However, adding the following optional software products makes it possible to further increase the application
            range.
                                                                                                                                      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
             LabSolutions IR                                                                                                          resultant spectra, making it possible to accurately evaluate the separation.
             Time course software                            (P/N 206-74558-91)

                                                                                                                                      LabSolutions IR
             The time course program is used to collect spectra in regular intervals and creates a                                    PLS Quantitation program                        (P/N 206-74560-91)
             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                                           PLS (partial least squares) quantitation is a chemometrics method that, like
             contour plot. It can be recalculated by modifying parameters.                                                            multiple linear regression analysis, is widely used for the simultaneous
                                                                                                                                      quantitation of multiple components. The PLS quantitation program incorporates
             The scan interval is dependent on resolution, number of scans and mirror speed.                                          PLS I and PLS II methods. It is possible to display calculation values based on input
             The fastest speed under a 16cm  resolution and a mirror speed of 9mm/s is 7                                              values. PLS factors are based on "PRESS" values, loading vectors, and score values.
                                    -1
             seconds for 1 accumulated scan. Maximum measurement time is 48 hours but                                                 Analysis can be performed on the regression equations obtained with the PLS
             it depends on scan parameters. The time course software includes a 3D                                                    method.
             Processing program.

             LabSolutions IR                                                                                                          CLASS-Agent connection kit                      (P/N 206-74557-91)
             Mapping program                                 (P/N 206-74559-91)
                                                                                                                                      This is a program to connect LabSolutions IR (File edition) to the CLASS-Agent system.
             The Mapping software allows one to map absorption information on a sample                                                Spectra collected using LabSolutions IR are managed in an existing CLASS-Agent
             surface as a function of position when using the Shimadzu AIM-8800 Infrared                                              database. The database enables data management for the entire recording life
             Microscope.                                                                                                              cycle, which consists of the creation (measurement), inspection, approval, storage,
             Mapping parameters, such as the mapping range, the scan intervals, and the                                               browsing, backup, and disposal of analysis data.
             background positions, can be set on the composite images. Area mapping, line                                             CLASS-Agent Manager and Public Agent are required.
             mapping and random mapping modes are supported.                                                                          * Only spectra are saved in the CLASS-Agent database. Mapping data, Time course data,
             In addition to mapping in the conventional transmittance and reflectance modes,                                             Calibration curve and Quantitation result tables cannot be stored.
             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                                           LabSolutions IR
             displayed as 3D images or contour plots, or in spectral overlay mode.                                                    Macro platform                                                                        (P/N 206-74562-91)

             Mapping program includes a 3D Processing program.
                                                                                                                                      The Macro Platform is required to run the customized macro   in a pre-determined order, or you wish to run an automatic
                                                                                                                                      programs created by Shimadzu (for a fee). If, for example, you   measurement system in combination with an auto sample
            LabSolutions IR                                                                                                           wish to perform routine work in which certain functions are used   changer, please contact your SHIMADZU representative for details.
            3D processing program                           (P/N 206-74563-91)                                                        Tapwater Contaminant/Food Contaminant Library                                      ʢ1 /             ʣ


            The 3D processing program offers the following functionality
                                                                                                                                      This is Shimadzu's latest original library. It is an effective tool for   profiles (PDF files) and significantly improves the accuracy of
              Changes the method of displaying data                                                                                   analyzing contaminants in tap water and food. In addition to   contaminant searches. Unlike existing libraries, this contains data
               • Data can be displayed in bird's eye view (3D), as an intensity distribution or                                       containing information on actually sampled contaminants and   on mixed compounds and incorporates all the depth of knowledge
                using contour lines, as a spectral overlay, or rotated.                                                               information about commercially available water supply   and wide experience needed to make qualitative assessments.
              3D data processing                                                                                                      maintenance parts, the library also includes X-ray fluorescence
               • Changes at specific wavenumbers can be isolated.
               • Functions include data extraction, data points thinning, smoothing,                                                  Thermal-Damaged Plastics Library         *)
                zero-baseline, background correction, normalization, log conversion, first- or                                                                                                                           ʢ1 /             ʣ
                second-order derivative, and ATR correction.
              Creation of 3D data from spectra                                  * The 3D processing program cannot control mapping    Unlike existing libraries, this library contains data of degraded   demonstrates its effectiveness when the contaminants include
               • Spectra measured at fixed intervals, such as by repeated measurements, can      measurements or AIM-8800 series infrared microscopes.  plastics that have been oxidized by heating. The library   degraded substances, as is often the case.
                be arranged consecutively to create 3D data.                                                                          * The library was compiled by Shimadzu Corporation from spectra measured and acquired by the Hamamatsu Technical Support Center, Industrial Research Institute of Shizuoka Prefecture.

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