Index
visionCATS
3.0
  • Introduction
    • Architecture
    • Editions and options
    • End user license information
  • What’s new in visionCATS 3.0
    • Changelog
      • visionCATS 3.0
        • Enhancements
        • Bug fixes
      • visionCATS 2.5
        • Enhancements
        • Bug fixes
      • visionCATS 2.4
        • Enhancements
      • visionCATS 2.3 SP1
        • Enhancements
        • Bug fixes
      • visionCATS 2.3
        • Enhancements
      • visionCATS 2.2
        • Enhancements
      • visionCATS 2.1
        • Enhancements
        • Bug fixes
      • visionCATS 2.0 SP2
        • Bug fixes
      • visionCATS 2.0 SP1
        • Bug fixes
      • visionCATS 2.0
        • Enhancements
      • visionCATS 1.4 SP2
        • Bug fixes
      • visionCATS 1.4 SP1
        • Bug fixes
      • visionCATS 1.4
        • Enhancements
      • visionCATS 1.3
    • CAMAG® HPTLC PRO
    • New design
    • Edit Global Lists
    • Remarks in methods
    • Report in methods
    • High DPI support
    • New docking system
    • Explorer improvements
      • In progress items selection
    • Update Database server
    • Support for Windows 7 is ending
  • Installation
    • Parts supplied
      • Content of the visionCATS installation disc
    • PC System Requirements
      • System Requirements
      • Installation Drive
      • Communication ports
      • Supported operating systems
      • Color quality
      • System printer (optional)
      • Additional software installed
    • Installation procedure
      • Troubleshooting
    • Installation of USB to RS232 adapter
      • Troubleshooting for RS232 adapter
    • Installation of TLC Visualizer camera
      • OHCI driver installation
      • Camera driver installation
      • Configuration for Windows 10
    • Installation of TLC Visualizer 2 camera
      • Camera driver installation
    • Installation of HPTLC PRO driver
    • Update of TLC/HPTLC instrument firmware
      • For instruments with RS232 connection
      • For the camera of TLC Visualizer
    • Update of HPTLC PRO Module firmware
  • Main window
    • Main Toolbar
      • Title bar
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      • Project Explorer Toolbox
      • Instruments Toolbox
      • System Log Toolbox
    • System Status Bar
      • Last system log entry
      • HPTLC PRO SYSTEM status
      • Selection of the HPTLC PRO SYSTEM
      • Selected HPTLC PRO SYSTEM status
      • Login of current user
      • Name of the visionCATS server and status of all instrument services:
      • Used memory by the client
  • File Explorer
    • Main explorer view
      • 1.Contents of the current folder
      • 2. Navigation
      • 3. History
      • 4. Status bar
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        • Default textual search
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    • Preview view
    • File Types
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  • Method / Analysis File
    • HPTLC Steps
    • Chromatography
      • Track Assignment
      • Instrument step parameters
        • Plate Layout
        • HPTLC PRO APPLICATION
        • ATS 4
        • Linomat 5
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          • HPTLC PRO
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          • HPTLC PRO
    • Data View
      • Images View
        • DataView Toolbar
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          • 𝑅ꜰ Tools and Tracks
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      • Tracks View
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    • Spectrum
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          • Display
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        • Overview
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    • System Suitability Testing (SST)
      • SST Table
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    • Evaluation
      • Definition
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            • Interactive baseline
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              • Example
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      • Substance assignment
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        • Tracks view
        • Toolbar
      • Calibration
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      • Results
      • Related Substances
        • Overview
        • Defining main and related substances
        • During the calibration
        • In the results
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        • Defining the internal standard
        • During the calibration
        • In the results
      • Reproducibility
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        • During the definition
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        • During the definition
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    • Export of data
      • Peaks table export
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      • Profile data export Only with Export data option
        • Raw profiles export Only with Export data option
        • Integrated profiles export Only with Export data option
        • Comparison profiles export Only with Export data option
      • Spectrum export Only with Export data option
        • Analysis spectrum data export Only with Export data option
        • Comparison spectrum export Only with Export data option
  • Comparison Viewer
    • Overview
      • How it works
      • Common functionalities
    • Export to comparison
      • Overview
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    • Image comparison
      • Display
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      • Illumination selection
      • Toolbar
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  • Tools
    • Vial/Substance Editor
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      • Selected Vial
      • Selected Substance
      • Substance in Vial
    • Method Library
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        • Technologies
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        • Breaking changes
          • visionCATS 3.0
            • New instrument names
          • visionCATS 2.5
            • Unit converter functions
            • Sample reference amount
        • Versioning
        • Debugging the report template
          • PDF generation debug
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          • Debugging tools
            • Web browser’s developer tools
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        • Changing template styles
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          • Tutorials
            • Changing the global styles
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            • Simple re-ordering and visibility
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              • Simple filter
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  • Profiles viewer
    • Axis
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        • One axis zooming
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    • Navigation in 3D
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  • HPTLC PRO
    • Terminology
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        • Main toolbar
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      • How to setup Windows user rights for data integrity
  • Backup / Restore
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        • Configure network share for scheduled backup
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  • Maintenance and troubleshooting
    • General maintenance
    • Service Tool
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  • Glossary
visionCATS
  • »
  • Method / Analysis File »
  • Evaluation »
  • Related Substances

Related Substances¶

Overview¶

The Related Substances functionality allows you to calibrate a substance of an evaluation with the calibration curve of another substance. A typical use case consists in the quantification of impurities in drug substances. The Main substance is the main component of the drug while each impurity is a Related substance. In order to confirm that the related substances are impurities, the sum of their quantities must not exceed a defined limit (normally 2% of the main substance). Therefore the typical workflow consists in:

  • Quantifying the main substance at an appropriate set of concentration/volume applied,

  • Quantifying the related substances at an appropriate set of concentration/volume applied, normally smaller than the set used for the main substance, and

  • Using the calibration curve of the main substance for the calibration of the related substances.

Defining main and related substances¶

../../_images/related_substances_definition.png

In the evaluation’s Definition tab, use the Advanced options button to make the Related substances field appear. In an evaluation, there can be only one Main substance, other substances can be of type Related substances or Default. Of course, the functionality will only work if the main substance and at least one related substance are defined. Because the related substances use the calibration curve of the main substance, the calibration-related fields are hidden for related substances.

The related substance functionality can be used in 3 modes, accessible by clicking on the Related substances parameters button :

  • Default: this is the simplest and the most generic mode, already present in winCATS, where only the substitution of the calibration curve is done for each related substance. This mode offers the most freedom but gives only the normal results of the quantification. The 2 other modes include the Allowed impurity amount field which enables the computation of the sum of impurities for each track.

  • By dilution: use this mode when a vial defined as Sample in the evaluation has been diluted (one or many times). Each dilution gives its own vial ID defined as Reference in the evaluation. In the configuration of this mode:

../../_images/related_substances_dilution.png

The Sample to use as reference concentration field has to be filled and the corresponding sample’s Amount and Volume solution in the Samples section have to be defined.

../../_images/related_substances_dilution_sample.png

The Amount and Volume solution fields give a reference concentration, and the volume applied has to be the same for all applications of this sample, therefore, there’s a reference quantity too, which will be used when computing the results of the evaluation. In the References section, once the reference concentration is defined, the dilution factor can be directly entered instead of the concentration, and the tooltip explains the correspondance between the dilution factor and the actual concentration:

../../_images/related_substances_dilution_reference.png

  • By volume: use this mode when the same vial is used on many reference tracks in the evaluation at different volumes. A correspondance between one of those reference application and the known amount of impurities (in %) has to be defined:

../../_images/related_substances_volume.png

Similar to the By dilution mode, this configuraction actually gives a reference quantity which will be used as a basis to compute the results in percentage.

During the calibration¶

During the Calibration phase, the sample points are not computed for the main substance. Indeed, the goal is to quantify the related substances. When a related substance is displayed:

  • The calibration configuration on top of the view is not modifiable and shows the calibration data of the main substance

  • An information text recalls the main substance

  • The tooltip on a reference or sample calibration point shows the additional relative quantity computed (only in By dilution and By volume modes)

  • The x-axis is expressed in percentage (only in By dilution and By volume modes)

../../_images/related_substances_calibration.png

In the results¶

In the Results tab, the results are not displayed for the main substance of the evaluation. When the By dilution or the By volume mode is selected, a Related substances tab appears. It displays, for each track, the details of the related substances percentages. In order to confirm that the related substances are impurities, the Status field indicates whether some tracks exceed the allowed impurity amount.

Use the Export results (CSV) button to get a flattened table of the related substances results useful for future processing.

../../_images/related_substances_results.png
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© Copyright 2022, CAMAG. Last updated on Oct 24, 2022.

visionCATS version: 3.0
Versions
2.4
2.5
3.0
3.1
3.2