ディジタルデータマネジメント List of Products and Services

"FFNSC4" is a mass spectrum and linear retention index by Dr. Mondello, known for its fragrance components and flavorings. The 4,030 mass spectra include CAS numbers, chemical structures, common names, CAS names, synonyms, molecular weights, molecular formulas, InChIKeys, and more. Additionally, there are linear retention indices calculated using three types of stationary phases (semi-polar, non-polar, polar) for homologous series (Alkanes C7-C40, FAMEs C4-C24, FAEEs C4-C24). [Data Contents (Partial)] ■ CAS Number ■ Chemical Structure ■ Common Name ■ CAS Name ■ Synonyms *For more details, please download the PDF or feel free to contact us.

• Database

"Peak Spectroscopy" is a data processing software for spectroscopy that supports FT-IR, Raman, NIR, and UV-vis data analysis. It is equipped with a rich set of data processing functions, including ATR and Advanced ATR, and features powerful peak separation capabilities as well as library creation and search functions. Additionally, it supports writing and exporting various data formats and can be utilized for correlation analysis using regression analysis (PLS, PCA, CLS). 【Features】 ■ Equipped with ATR/Advanced ATR and peak fitting functions ■ Supports creation and search of spectral libraries ■ Enables correlation analysis using regression analysis (PLS, PCA, CLS) ■ Supports a variety of data formats *For more details, please refer to the materials. Feel free to contact us as well.

• Software (middle, driver, security, etc.)

Match! is a phase analysis software that uses powder diffraction data. It compares the sample's diffraction pattern with a database that includes reference patterns to identify existing phases. Known multipliers about the sample (such as known phases, elements, densities, etc.) can also be added. In addition to qualitative analysis, quantitative analysis can be performed using direct derivation methods (by Professor Toritani), RIR, Rietveld, DOC, and internal standard methods. As reference databases, the ICDD PDF database (available for a fee), the free COD database (standard equipment), user diffraction patterns, and crystal structure data can be used. Calculations executed in the background using FullProf (by J. Rodriguez-Carvajal) allow for easy setup and execution of Rietveld refinement and pattern decomposition from Match!. Match! provides an easy introduction to Rietveld refinement, ranging from fully automated operation to "expert" mode (depending on user settings).

• Data Search Software

"Peak Spectroscopy" (formerly Essential FTIR) is a spectroscopy data processing software that allows for the creation and search of libraries, as well as the writing and exporting of various types of data. It is a program that simplifies complex data manipulation for Fourier Transform Infrared data. Data processing can be performed to extract waveforms. Usable library formats include Spectral ID (Thermo) and Win First (Mattson), among others. The search algorithms include correlation coefficient, Euclidean distance, absolute difference, first derivative, and text search. 【Data Processing (Excerpt)】 ■ ATR/Advanced ATR ■ KK Transformation ■ Raman Shift ■ X Shift ■ X Unit Conversion ■ Zap ★ We are currently offering materials that include specific examples of peak fitting (peak separation) and library searches! * For more details, please refer to the PDF materials or feel free to contact us.

• Data Search Software
• Data conversion software
• Software (middle, driver, security, etc.)

ChemDoodle, version 11, allows for the drawing of chemical structures, conversion between names and structures, spectral simulation, and 3D rendering. It includes various features such as drawing chemical structures, depicting reaction equations, automatically generating Lewis structures, and creating Newman projections. The platforms supported are Windows 7/8/8.1/10 (64 bits), macOS, and Linux. 【Main Features】 ■ Drawing chemical structures ■ Depicting reaction equations ■ Generating IUPAC names from structures and vice versa ■ Automatic generation of Lewis structures ■ Creating Newman projections *For more details, please refer to the PDF document or feel free to contact us.

• Other operation management software

"HSC Chemistry" is software that calculates chemical reactions and chemical equilibria based on a database of enthalpy (H), entropy (S), and heat capacity (Cp) for approximately 28,000 substances. In addition to general modules for reactions, thermal equilibrium, and molecular weight calculations, it includes unique modules for creating Eh-pH diagrams used in electrochemical cell equilibrium and corrosion studies. You can copy tables and diagrams of the calculation results to the clipboard. *For more details, please refer to the PDF materials or feel free to contact us.*

• Data conversion software

This product, which uses plastic atoms and bonds, is a molecular construction system for educational learning purposes. Elements are distinguished by color and have branches set at the correct angles. Additionally, atoms are connected with bonds of predetermined lengths, and hydrogen bonds, among others, are indicated in a different color. 【Teaching Materials / Self-Learning Set Lineup】 ■Basic Structure with booklet ■Lattice with booklet ■Biochemistry with booklet ■Organic and Inorganic Chemistry with booklet ■The Orbit Large set (including 4 booklets) *For more details, please refer to the PDF materials or feel free to contact us.

• others

"PLS_Toolbox (Solo)" is a graphic interface for data calibration, model creation, and result interpretation, as well as a prediction tool for unknown data. It allows you to import data from MATLAB, Excel, GRAMS, ASCII XY, and other data files, and customize the order and options for preprocessing. You can assemble dataset objects according to a flowchart, including options for cross-validation. It can be used for principal component analysis, discriminant analysis, and quantitative analysis using spectral data such as IR, Raman, Mass, and EEM. 【Basic Functions】 ■ Data exploration and pattern recognition analysis/discriminant analysis ■ Linear and nonlinear regression ■ Experimental design ■ Self-modeling curve resolution ■ Instrument standardization *For more details, please request materials or view the PDF data from the download section.

• Software (middle, driver, security, etc.)
• Other embedded systems (software and hardware)
• Other analyses

"DIPPR with DIADEM pro" is a physical property database for chemical processes that accumulates 47 types of thermal property values (measured values) for 2,270 compounds, multiple estimation formulas, original literature data, and coefficients for estimation formulas related to 15 types of temperature-dependent properties. It features the AIChE-recommended interface software "DIADEM," which allows for quick searching and visualization of data generated from measurements. It is a standalone system that can be used independently. 【Main Features of DIADEM】 ■ Search targets: Name, Formula, CAS number, physical property data ■ Physical property values: Measured values, predicted values from estimation formulas ■ Data display: Tables and graph plots ■ Overlay plots of multiple compound data ■ 3D representation of structural formulas using the MDL Chime plugin ■ Creation of user databases *For more details, please refer to the catalog or feel free to contact us.

• Database
• others

"HSC Chemistry Version 9" is software that calculates chemical reactions and chemical equilibria based on a database of over 28,000 compound species (solids, liquids, gases) using a PC. In addition to general calculation modules for reactions, thermal equilibrium, and molecular weight calculations, it features unique functions such as the creation of "Eh-pH diagrams" used in the study of electrochemical cell equilibrium and phase stability, as well as corrosion research. 【Features】 ■ Ability to copy tables and diagrams of calculation results to the clipboard ■ Creation of state diagrams as a function of temperature using fundamental thermochemical data of substances ■ Inputting reaction equations yields reaction heat and equilibrium constants at any temperature and amount of the sample ■ Theoretical thermal balances can be calculated by obtaining samples and amounts from reaction equations and equilibrium calculations ■ Visualization and simulation of the effects of process variables *For more details, please refer to the materials. Feel free to contact us with any inquiries. *We will hold HSC Chemistry training classes (workshops)! Please stop by.

• Database

"PDF2+" is an unknown pattern search system equipped with X-Search as standard. It allows you to search the ICDD PDF database using the d-values (or 2θ) and intensity peak list of unknown substances. You can filter by elements and compare or subtract with any card data. Additionally, it can calculate the GOM (Goodness of Matching) value, which can be used to rank results obtained from searches such as the Hanawalt Index. The GOM value can be calculated by opening a peak data file (d-values and intensities) or by copying and pasting peak data from Excel, and then executing the Hanawalt Index. [Main Features] ■ JCPDS card search by substance name, mineral name, 3 strong lines, 10 strong lines (Fink Index), element symbols, and more ■ Bar graph display with d-values or 2θ on the horizontal axis and selection of line sources ■ Printing of bar graphs and clipboard copying ■ Text saving of arbitrary items from card data ■ Creation of images of waveforms generated from bar graphs For more details, please refer to the catalog or feel free to contact us.

• Database

This is a database stored in the format of a relational database (Sybase). It includes a search function equivalent to PCPDFWIN, PDF2plus, and MacPDF, and can search the Full File 2016 RDB CD-ROM or DVD. As PDF4 products, we offer Full File, Minerals, and Organics. Additionally, it is shipped with X-Search for PDF-4, enabling pattern matching searches using the d-values (or 2θ) and intensity peak lists of unknown substances. For more details, please refer to the catalog or feel free to contact us.

• Database

Search Match Function for Windows Version The Search Match function for PDF2plus has been implemented, supporting the ICDD PDF2 database.

• Database

Computer Aided Surface Analysis for X-ray Photoelectron Spectroscopy (CasaXPS) is software for research scientists using XPS spectra. The features of CasaXPS are compatible with systems that come with XPS equipment. CasaXPS can provide user-friendly data processing on any Pentium PC running Microsoft Windows 95 or later.

• Other measurement, recording and measuring instruments