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Spectrometry Module overview

Identify key features of all pages of the Spectrometry Module.

The Spectrometry Module is designed to work with the Wireless Spectrometer (Vis) (PS-2600A) or the UV-Vis Spectrometer (SE-3607). To access the module, connect one of these spectrometers to Chemvue or select "Spectrometry Experiment" under New in the main menu. The module consists of four pages: the solution spectra page, the solution concentration page, the concentration change over time page, and the light spectra page.

The navigation bar is found at the top of all four pages of the Spectrometry Module.

  1. Main Menu

    Contains the same options as the General Data Collection Module's main menu, as well as the following additions:

    • Import Spectrometry App File: Import a .sp or .splab file, created using the standalone Spectrometry app, into a Chemvue experiment file.
    • Export Spectrometry App File: Export the current experiment as a .splab file which can be imported to the standalone Spectrometry app (version 3.0 or later).
    • Export Selected Data: Export a CSV file containing only the runs of data currently selected on the active tab on the page currently being viewed. To include a run in this selection, ensure that the box next to that run is checked in the legend on the graph.

    Note

    In the case of the tabs on the solution concentration page, all data points are considered to be part of a single run. Therefore, all points will be included in the CSV file when exporting selected data from this page.

  2. Solution spectra page

    Select this icon to switch to the solution spectra page.

  3. Solution concentration page

    Select this icon to switch to the solution concentration page.

  4. Concentration change over time page

    Select this icon to switch to the concentration change over time page.

  5. Light spectra page

    Select this icon to switch to the light spectra page.

  6. Export page image

    Select to export a PNG image of the current display, including all displayed data.

  7. Wireless Devices

    Use to connect a Wireless Spectrometer to Chemvue.

  8. Connection Status

    Displays a Connected symbol when the spectrometer is properly connected to and communicating with Chemvue. Displays a Disconnected symbol when no spectrometer is connected, or when a connection error occurs.

Solution spectra page

This page allows you to measure the absorbance and transmittance versus wavelength for solutions. You can also use this page to set an analysis wavelength for the solution concentration and concentration change over time pages.

  1. Selectable tabs (Wireless Spectrometer (Vis) (PS-2600A) only)

    By default, the y-axis of the graph measures either absorbance or transmittance. However, by selecting these tabs, you can switch to one of two separate graph displays that plot fluorescence against wavelength. These displays respectively use a 405 nm and 500 nm LED inside the Wireless Spectrometer to perform experiments related to the excitation of substances at the specified wavelengths. Select one of these tabs to turn on the LED of the specified wavelength.

    Note

    Some tools from the Absorbance/Transmittance tab are not available in the Fluorescence tabs and vice versa.

  2. Tools panel

    Contains tools which can be used to control the data collected and displayed on the graph. Select Collapse to hide this panel; select Expand to view the panel again. The included tools are:

    • Analysis Wavelength

      Indicates the wavelength currently selected for analysis. This does not directly impact your data on this screen but is crucial for collecting data in the solution concentration and concentration change over time pages.

    • Number of Scans to Average

      Specifies the number of discrete acquisitions that are collected and averaged before displaying and recording a spectrum or data point. A higher value results in a better signal-to-noise ratio, making a weak peak signal more visible. Drag the slider to increase or decrease the number of scans.

    • Smoothing

      Uses a Savitzky-Golay filter to smooth the data. Drag the slider to increase or decrease the amount of smoothing. The tool will automatically lock after data is recorded on the solution concentration or concentration change over time pages, as data can be significantly different between trials recorded with different smoothing settings. You can also manually lock the tool by selecting the Lock button. If needed, the tool can be unlocked by selecting the Unlock button.

    • Integration Time (Fluorescence tabs only)

      Analogous to shutter speed on a camera. A higher value allows the spectrometer to collect more light, which is useful for less fluorescent solutions.

  3. Measurement selector

    Select the displayed measurement name to switch the y-axis measurement between Absorbance and Transmittance.

  4. Color spectrum background

    Provides a convenient illustration of which wavelength values correspond to which colors of visible light.

  5. Legend

    The names of runs will appear here as they are collected. Select the box next to a run's name to show or hide that run. The currently selected run of data is indicated by a box around its symbol on the legend.

  6. Graph display

    Data collected on this page will be displayed here.

  7. Graph toolbar

    Contains a variety of tools which can be used to control the graph display.

    • Scale to Fit : Select to automatically scale the axes so that all data is visible in the graph display.
    • Select Wavelength : Select to add a coordinate data target to the graph. Drag the data target to a data point to view the coordinates of that point and set the corresponding wavelength as the analysis wavelength.
    • Annotate Graph : Select to add a note to the graph. The note can be attached to a data point by dragging the note to that point.
    • Toggle Color Spectrum Background : Select to show or hide the color spectrum behind the data.
    • Show Dual y-Axes (Absorbance/Transmittance tab only): Select to show or hide a second y-axis on the graph, allowing you to view Absorbance and Transmittance values simultaneously.

  8. Start

    Select to begin data recording. While data is being collected, select Stop to end data recording and keep the displayed data.

  9. Manage Runs

    Opens the Run Management window, from which you can rename or delete collected runs of data.

  10. Calibrate Dark (Absorbance/Transmittance tab only)

    This calibration should be performed when the spectrometer's light source is turned off. Ensure the spectrometer's sample chamber is covered to block out ambient light, then select this icon to calibrate the spectrometer. The icon will change to a new icon to indicate that the calibration is complete.

  11. Calibrate Reference (Absorbance/Transmittance tab only)

    This calibration should be performed when a reference solution is placed in the spectrometer. The reference solution should be the solvent used to make the sample solutions for the experiment being conducted. Insert a cuvette containing the reference solution into the spectrometer, then select this icon to calibrate the spectrometer. The icon will change to a new icon to indicate that the calibration is complete.

Solution concentration page

This page allows you to plot absorbance versus concentration for solutions, and to apply a linear fit to the data to determine the unknown concentration of a solution.

Note

Before analyzing the concentration, you must set an analysis wavelength in the solution spectra page. If you have not yet set an analysis wavelength, you will be prompted to do so upon switching to this page.

  1. Selectable tabs (Wireless Spectrometer (Vis) (PS-2600A) only)

    By default, the y-axis of the graph measures either absorbance or transmittance. However, by selecting these tabs, you can switch to one of two separate graph displays that plot fluorescence against wavelength. These displays respectively use a 405 nm and 500 nm LED inside the Wireless Spectrometer to perform experiments related to the excitation of substances at the specified wavelengths. Select one of these tabs to turn on the LED of the specified wavelength.

    Note

    Some tools from the Absorbance/Transmittance tab are not available in the Fluorescence tabs and vice versa.

  2. Table panel

    Displays either the Enter Concentration Values table or the Determine Unknown Concentration table (see below).

  3. Measurement selector

    Select to toggle the y-axis measurement between Absorbance and Transmittance.

  4. Graph display

    Data collected on this page will be displayed here.

  5. Live scan display

    Shows the Absorbance (or Transmittance) versus Wavelength graph for the sample currently being monitored, as well as the wavelength being analyzed.

  6. Graph toolbar

    • Scale to Fit : Select to automatically scale the axes so that all data is visible in the graph.
    • Coordinates : Select to add a coordinate data target to the graph. Drag the data target to a data point to view the coordinates of that point.
    • Annotate Graph : Select to add a note to the graph. You can attach the note to a data point by dragging the tool to that point.
    • Linear Fit : Select to add a best fit line to the data. This will also display a box showing the slope (m) and y-intercept (b) of the line. The correlation coefficient (r) indicates how well the line fits the data, with 1.000 being a perfect fit.
    • Toggle Live Scan Display : Select to show or hide the live scan display on the graph.

  7. Start

    Select to begin collecting data. While data is being collected, select Stop to end data collection and keep the displayed data.

  8. Known Solutions

    Select to view the Enter Concentration Values table. After selecting Start , select the Absorbance cell for the current solution concentration in the spectrometer, then select Keep to keep the value.

  9. Unknown Solutions

    Select to view the Determine Unknown Concentration table. Use this table to record the absorbance of a solution of unknown concentration. After fitting a line to the known concentration values, select the Concentration cell to enter a prediction for the unknown concentration. A data point will appear on the graph, with its shape and color indicating how well the prediction correlates with the best fit line:

    • A green circle indicates a good prediction (less than 5% error).
    • A yellow square indicates a prediction that is close but should be revised (5-10% error).
    • A red X indicates a prediction that is far off (more than 10% error).

  10. Active Solution

    When selected, this button displays a list of the data runs (solutions) which were recorded on the solution spectra page. Select an entry in this list to choose the run (solution) you want to analyze.

Concentration change over time page

This page allows you to plot absorbance, transmittance, or concentration versus time for solutions undergoing a reaction.

Note

Before analyzing the concentration change over time, you must set an analysis wavelength in the solution spectra page. If you have not yet set an analysis wavelength, you will be prompted to do so upon switching to this page.

  1. Selectable tabs (Wireless Spectrometer (Vis) (PS-2600A) only)

    By default, the y-axis of the graph measures either absorbance, transmittance, or concentration. However, by selecting these tabs, you can switch to one of two separate graph displays that plot fluorescence against wavelength. These displays respectively use a 405 nm and 500 nm LED inside the Wireless Spectrometer to perform experiments related to the excitation of substances at the specified wavelengths. Select one of these tabs to turn on the LED of the specified wavelength.

    Note

    Some tools from the Absorbance/Transmittance tab are not available in the Fluorescence tabs and vice versa.

  2. Live scan display

    Shows the Absorbance (or Transmittance) versus Wavelength graph for the sample currently being monitored, as well as the wavelength being analyzed.

  3. Tools panel

    Contains tools which can be used to control the data collected and displayed on the graph. Select Collapse to hide this panel; select Expand to view the panel again. The included tools are:

    • Bandwidth

      Specifies the range of wavelengths that will be measured. The value is equal to the number of pixels on either side of the pixel specified by the wavelength parameter. Therefore, the total number of pixels that will contribute to a measurement equals (Bandwidth × 2) + 1.

    • [Measurement] vs. Concentration

      Contains the slope and y-intercept values that relate the absorbance or fluorescence of the sample to its concentration. These constants are entered automatically when a linear fit is performed on the solution concentration page. They can also be entered manually by selecting each field.

  4. Select QuickCalc

    Select to apply a calculation to the y-axis measurement. Permitted calculations include natural log of the measurement (ln y) and inverse of the measurement (1/y).

  5. Measurement selector

    Select to toggle the y-axis measurement between Absorbance, Transmittance, and Concentration.

    Note

    If you are analyzing concentration versus time, the measurement will only be meaningful if the absorbance versus concentration relationship is established in an experiment on the solution concentration page, or if the slope and intercept are entered manually in the tools panel.

  6. Legend

    The names of runs will appear here as they are collected. Select the box next to a run's name to show or hide that run. The currently selected run of data is indicated by a box around its symbol on the legend.

  7. Graph display

    Data collected on this page will be displayed here.

  8. Graph toolbar

    • Scale to Fit : Select to automatically scale the axes so that all data is visible in the graph display.
    • Coordinates : Select to add a coordinate data target to the graph. To view the coordinates of a point on the graph, drag the data target to that point.
    • Annotate Graph : Select to add a note to the graph. The note can be attached to a data point by dragging the attached data target to the point.
    • Linear Fit : Select to add a best fit line to the data. This will also display the slope (m) and y-intercept (b) of the line. The correlation coefficient (r) indicates how well the line fits the data, with 1.000 being a perfect fit.
    • Enable Data Range Selection : Select to add a highlighter tool to the graph, allowing you to highlight a group of data points to analyze, such as when performing a linear fit. Select and drag the handles on the selection box to choose the range of data you want to analyze. You can also use this tool to zoom in on a selection of data by selecting Scale to Fit after highlighting that selection.
    • Toggle Live Scan Display : Select to show or hide the live scan display.
    • Toggle Monitor Tools : Select to show or hide the digits display showing the live time and y-axis measurements during data collection.

  9. Start

    Select to begin recording data. While data is being collected, select Stop to end data collection and keep the displayed data.

  10. Sample Rate

    Indicates the frequency at which measurements are taken. Select to increase the rate or to decrease the rate.

  11. Manage Runs

    Opens the Run Management window, from which you can rename or delete collected runs of data.

  12. Active Solution

    When selected, this button displays a list of the data runs (solutions) which were recorded on the solution spectra page. Select an entry in this list to choose the run (solution) you want to analyze.

Light spectra page

This page allows you to plot light intensity versus wavelength for emission spectra.

Note

Analyzing emission spectra with the Wireless Spectrometer (Vis) requires the Fiber Optic Cable

  1. Tools panel

    Contains a number of tools used to control the appearance of your data. Select Collapse to hide this panel; select Expand to view the panel again. The included tools are:

    • Integration Time: Analogous to shutter speed on a camera. A higher value allows the spectrometer to collect more light, which is useful for less intense light sources. After aligning the fiber optics probe with the light source, select Auto Set to automatically set the integration time.
    • Number of Scans to Average: Specifies the number of discrete acquisitions that are collected and averaged before displaying and recording a spectrum or data point. A higher value results in a better signal-to-noise ratio, making a weak peak signal more visible. Drag the slider to increase or decrease the number of scans.
    • Smoothing: Uses a Savitzky-Golay filter to smooth the data. Drag the slider to increase or decrease the smoothing. To prevent unwanted changes, this setting can be locked by selecting the Lock Smoothing button.

  2. Legend

    The names of runs will appear here as they are collected. Select the box next to a run's name to show or hide that run. The currently selected run of data is indicated by a box around its symbol on the legend.

  3. Color spectrum background

    Provides a convenient illustration of which wavelength values correspond to which colors of visible light.

  4. Graph display

    Data collected on this page will be displayed here.

  5. Graph toolbar

    • Scale to Fit : Select to automatically scale the axes so that all data is visible on the graph.
    • Coordinates : Select to add a coordinate data target to the graph. Drag the data target to a point to view the coordinates of that point.
    • Annotate Graph : Select to add a note to the graph. The note can be attached to a data point by dragging the data target to that point.
    • Toggle Color Spectrum Background : Select to show or hide the color spectrum behind the data.

  6. Start

    Select to begin collecting data. While data is being collected, select Stop to end data collection and keep the displayed data.

  7. Manage Runs

    Opens the Run Management window, from which you can rename or delete collected runs of data.

  8. Calibrate Wavelength

    This tool shifts the data by a specified number of nanometers in order to remove errors from measurements.

  9. Reference spectra

    Select this button and choose an element to add reference lines for that element to the graph, allowing you to compare them to collected data. Select the arrows to switch to the previous reference and the next reference .