Legend: [+] added, [*] improved, [/] bugfix, [-] removed

V2.6 Public Release – 1. June 2020

New Key Features

• Reads and predicts .SPC spectra file format (Thermo-Scientific Galactic GRAMS)

  Support for multi spectra and single spectra .SPC files.
  Multiple multi-spectra files can be predicted in one step.

• Spectra Plots on the prediction reports

  Visualizes the min,median,max spectrum of the spectra dropped as files on the NIR-Predictor.
  This gives a minimal and good spectral overview of the predicted property results.

Details

• [+] Thermo-Scientific Galactic GRAMS SPC spectra file format support for multi spectra and single spectra files. Multiple multi-spectra files can be imported in one step.

• [+] Spectra Plot Thumbnail on the Prediction Report

  • Spectra Plot color legend: min,median,max spectrum by predicted property or if no calibration is available by spectral intensity.

• [+] Prediction Report Header information extended

  • because of introduced spectra plot, with
    • “Spectral Range” (x-axis) of the spectra e.g. “1000 to 2400 Nanometers [500 datapoints]”
    • “Spectral YUnit” e.g. “ABSORBANCE”
  • and fully documentation of the used system (for system validation purpose)
    • “Operating System” detailed version information about the Operating System.

• [+] User Interface

  • A shortcut for the function “Update Applications (F4)” is also possible with a click on the “Application” text label.
  • A shortcut for the function “Update Calibrations (F5)” is also possible with a click on the “Calibrations” text label.

V2.5 Public Release – 5. May 2020

New Key Features

• Simple Custom CSV Data Spectra File Supported

  see Simple Spectra File Format for CalibrationModel.com NIR-Predictor

• More Vendor Spectra File Supported

  ams
  Avantes
  PIXELTEQ
  Senorics

  see NIR-Predictor supported Spectral Data File Formats

• Properties File Creator

  Supports and creates now both Sample-based and Spectra-based propertyFiles templates. Create Properties File creates also a Spectra based PropertiesBySpectra.csv.txt in addition to Sample based PropertiesBySamples.csv.txt

Details

• [+] More Vendor Spectra File Supported: ams, Avantes, PIXELTEQ, Senorics.
• [+] Simple Custom CSV Data Spectra File Supported.
• [+] Properties File Creator supports now both Sample-based and Spectra-based propertyFiles templates.
• [*] Improved parsing of JCAMP and Vendor file formats.
• [*] Improved parsing of propertyFiles and CalibrationRequest.
• [*] About dialog shows detailed software version.

V2.4 Public Release – September 2019

New Key Features

• Multi spectral-formats, multi spectra-files with with multi calibrations predictions

  Automatic file format detection.

  see NIR-Predictor supported Spectral Data File Formats

• Properties File Creator

  A tool for the NIR-User to create the propertyFile easily. It helps to create a CSV file from the measured spectraFiles with sampleNames and Properties to edit in Spreadsheet/EXCEL software.

  Sample based with automatic sample/spectra replicate/repeats detection and analysis for data cleanup for better data quality.

  Lets you enter Lab-Reference-Values in a sample-based manner, corresponding to your sample spectra for calibration. Contains clever automatic analysis mechanisms of inconsistencies in your raw-data to increase the data quality for calibration. Provides detailed analyzer information for manual data cleanup when needed. (Data Cleaning, Data Cleansing, Data Quality)

  It’s time saving and less error prone because you DON’T need to open each spectrum file separately in an editor and copy the spectral values into a table grid beside the Lab-values.

• Create Calibration Request

  Packs created Properties files and spectra files in a compressed ZIP file for sending to the CalibrationModel.com Service. Helps with additional information about the property type you entered and if the Lab-values are enough to get calibrated.

• Histogram Charts

  Showing the distribution of the predicted results per calibration. Color shows the out-of-calibration range results.

Details

• [+] Menu function (F7) to “Create Calibration Request…”
• [+] Histograms of Prediction Values per Property in the Prediction Report. Shows the distribution of the predicted results per calibration.
• [*] Prediction Report reduced file size, ca. 25% less.
• [*] Prediction Report – Missing ‘Date Time’ are shown as empty.
• [*] Prediction report list the Spectra files in a compact way, same path information is shown once.
• [+] Prediction Report supports the order/sorting of the prediction results of the spectra, which can be defined as: GivenOrder | Date_Name | Name_Date | Date_NamesWithNumbers | NamesWithNumbers or Reverse sorted.
• [+] The last used Application is loaded on next start. Because often you need to continue on the same, if not you need to change it anyway.
• [*] Prediction Report lists “Result Ordering” and “Outlier Symbols” settings above the table, to quick know how the table is ordered and the symbols are defined.
• [+] Prediction Report contains an overall Outlier Statistics for multiple spectra below the header of “Prediction Value List”.
• [+] Menu “Show latest Updates” opens the https://calibrationmodel.com/NIR-Predictor-Release-Notes/ in the browser.

V2.3 Public Release – June 2019

New Key Features

• Native spectra file formats

  Support for many mobile NIR Spectrometers.

  See NIR-Predictor supported Spectral Data File Formats

• Application concept

  Allows to group multiple Calibrations together for an Application.

• Properties File Creator

  Menu “Create Properties File…” to enter Lab-Reference-Values for calibration. The file is created from a folder of spectra files, so it contains their names, dates and hashes.

Details

• [+] Support for native file formats of many mobile and hand-held NIR Spectrometers.
• [+] Automatic file format detection.
• [+] Select Applications for predictions.
• [+] Application allows to group multiple Calibrations together for a Application.
• [+] Calibration Property Legend shows the “Folder” name of the Calibration file. That allows the user to distinguish duplicates of calibration property names. If the Calibration File is flat in the default Calibrations folder then under “Folder” stands “”.
• [*] Calibrations are sorted in the prediction report by 1. Folder (you can structure the Calibs in subfolders as you like), 2. Property name, 3. Property Range Max.
• [+] Menu function (F4) to “Search and load Applications” from the calibration folder, where you can arrange the calibration files in folder structure.
• [+] Menu function (F5) to “Search and load Calibrations” from the calibration folder, where you can arrange the calibration files in folder structure and move deactivated calibs outside.
• [+] Menu function (F6) to “Create Properties File…” to enter Lab-Reference-Values for calibration. The file is created from a folder of spectra files, so it contains their names, dates and hash.
  
• [*] Ctrl+O to select spectra files to predict (same as dialog button or drag & drop files)
• [*] File Select Dialog is only opened once to multi-select spectra files.
• [+] Predicts multiple spectra files at once in different file-formats and different wave-ranges and wave-resolutions with all compatible calibrations.
• [*] Prediction Report with sorted Calibration/Properties by subfolder and Property name. Allows grouping of calibrations in sub folders.
• [*] Prediction Report results table can be copied to spreadsheet programs like Excel containing the structure.
• [*] Instead of warning information “CalibrationIncompatibleForSpectrum” there is no predicted value, to have a compact nice readable report. And a “-” mark is set in Outlier column Out. In the legend it’s listed as “- : spectrum is incompatible to calibration”
• [*] The property unit is not shown as [] if it is not known.
• [*] Functions keys for menu functions, for fast access.

V2.2 Public Release – August 2018

Key Features

• Drag & drop spectra files to be loaded, pre-processed, predicted and reported.

• Automatic pre-processing of spectra

• Multi spectra files with with multi calibrations prediction

Details

• Installation: There are no administrator rights required, unpack the zip file to a folder “NIR-Predictor” in your documents or on your desktop. Read the ReadMe.txt and run the application (.exe) file.
• Uninstall: Make sure to backup your reports and calibrations inside your “NIR-Predictor” folder. Delete the “NIR-Predictor” folder.
• [+] Report is stored automatically.
• [+] Outlier statistics.
• [+] Total predictions statistics.
• [+] All the steps are automatic. And can be done individually to act on input changes.
• [+] comes with demo data, so you can predict sample spectra with demo calibrations.
• [+] has no functional limitations, no nagging, no ads and needs no license-key.
• [+] runs on Microsoft Windows 7/8/8.1/10 (Starter, Basic, Professional) (32 bit / 64 bit).
• [+] Minimal System Requirements: Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account

V1.0 – V2.1 Internal Releases – 2018