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Choose an article below to learn how to create and run workflows to automate your frequent tasks and important processes.
You can use the workflow features in OMNIC Paradigm software to automate important procedures and frequent tasks. A workflow is a series of software operations that can be initiated with the click of a button. The software operations are represented by tiles, which you drag and drop onto the workflow canvas in OMNIC Paradigm software. You can specify settings for data collection, provide instructions for operators, and define data processing, reporting, and archiving in advance. Once a workflow has been created, operators can use it repeatedly to complete the steps the same way every time.
This article provides an overview of these basic workflow features and tools:
The workflow pane is always available at the bottom of the OMNIC Paradigm dashboard. Use this space to preview and play workflows you’ve created, and to open the workflow editor to edit or create a new workflow.
Figure 1. Workflow Pane on the OMNIC Paradigm Dashboard
1. Most recent workflows (click once to preview a workflow; click twice to play it)
2. Right-click a workflow for more options
3. Preview of selected workflow
4. Enlarge or reduce the Workflows pane
Table 1. Work with existing workflows from the workflow pane
To do this... | Take this action |
---|---|
Select and preview a workflow | Click once on the workflow name |
Test or run a workflow | Right-click the workflow and select Run. This opens the Run Workflow window where you can step through the workflow tasks. |
Edit, rename, duplicate, delete or export the selected workflow | Right-click the workflow and choose an option from the shortcut menu. |
Use the Run Workflow window to test or run a workflow. To open the Run Workflow window, right-click a workflow and select Run.
Figure 2. Right-click a Workflow and select Run
1. Selected workflow (double-click to open and run this workflow)
From the Play Workflow window, use the arrow button to move to the next task in the workflow. The workflow will play exactly as it has been designed, with tasks and operator messages displayed as indicated by the workflow.
Figure 3. Run Workflow Window
1. Toolbar
To stop the workflow and return to the dashboard, click the Stop button in the Play Workflow window. (If the workflow doesn’t have a Stop button, click the Dashboard button on the toolbar to stop the workflow.)
The workflow editor contains all the tools for creating workflows, including the workflow menu, toolbar, tile selection bar, and canvas. To open the workflow editor, right-click a workflow name on the dashboard and choose Edit from the shortcut menu.
You can also open the workflow editor from the OMNIC Paradigm main window by choosing:
File (menu) > Workflows > Create Workflow
The workflow canvas is where you select and set up the tasks you want the workflow to perform and join tasks together to create the workflow. The workflow editor opens with the mandatory “Workflow Start” and “Workflow End” tiles displayed on the canvas. Available settings for each tile in the current workflow are in the expandable sections below the canvas. Tools for scrolling, zooming and resetting the canvas view are at the right. A handy toolbar is above the canvas.
Figure 4. Workflow Editor
Each task is represented by a colorful tile in the tile selection bar. Here are some commonly used examples:
Tools for creating, opening, and exporting workflows are located in the Workflow submenu (available from the OMNIC Paradigm File menu). Example workflows, available here, are a good place to start, or you can create a workflow from a spectrum’s history. See “Create and Run Your First Workflow” for details.
Tiles can be added, moved, copied and deleted to create the desired workflow. For more information, see the article titled “Edit a Workflow.”
This article explains a simple way to create workflows in OMNIC Paradigm software. For basic information about workflows and brief descriptions of the workflow features and editing tools, see the article titled “About Workflows” in the OMNIC Paradigm online help.
Note The software operations to create workflows are available only in the desktop version of OMNIC Paradigm software (not the touchscreen version).
There are several ways to create workflows. Some approaches may work better than the others, depending on the steps you are trying to automate and how you want to start. For example, you can create a new workflow by:
This article shows how the software can create a workflow automatically based on the history of an acquired spectrum. It also demonstrates how to:
The last section provides useful tips for creating and editing workflows.
1. From the OMNIC Paradigm dashboard, acquire a spectrum of a sample material. It doesn’t matter what kind of material or sampling technique you use. If the software requires a new background measurement, go ahead and do that first. When the sample measurement is completed, the sample spectrum is displayed in the spectral view.
Here is our example spectrum (plastic bag measured with an Attenuated Total Reflectance, or ATR, accessory) displayed in the spectral view:
2. Make sure the spectrum is selected in the spectral pane and then perform any processing or analysis steps you like (for example, subtraction, baseline correction, correlation search, etc.).
Here is our example spectrum after applying Advanced ATR Correction and Automatic Baseline Correction and then performing a Correlation Search.
3. Give your spectrum a descriptive name (the software will use this name for the created workflow as the default, or you can give the workflow a new name).
4. Once you have completed your processing and analysis steps, click the History button in the results panel.
The history panel shows all the tasks performed on the selected spectrum in the order in which they were performed. Here is the history information for our example spectrum.
5. At the bottom of the history panel, click Create Workflow.
The software creates a workflow that includes all of the steps you just performed. The workflow is displayed in the workflow editor. Each performed task is represented by a colorful tile. Depending on which steps you performed, your workflow may look different from our example below:
6. To save your new workflow, click the Save button on the toolbar.
7. To run the workflow, click the Run button on the toolbar.
The workflow performs the same tasks you completed manually in exactly the same sequence. In our case, we measured a spectrum, performed an Advanced ATR Correction, corrected the spectral baseline, and performed a correlation search.
When the workflow is done, the software returns to the Workflow Editor.
8. Click the Dashboard button on the toolbar to see your newly created workflow in the Workflows list.
The workflow is named automatically based on the name of the spectrum used to create it. Here is our newly created example workflow in the Workflows list and a preview of the workflow in the preview box.
9. The workflow-generated spectra appear in the Measurements list.
Our example workflow created four spectra, the measured background spectrum, the measured sample spectrum, the ATR corrected sample spectrum, and the ATR and baseline corrected sample spectrum with the search results. The workflow-generated spectra are named with the Tile Name properties of their associated workflow tiles.
This section demonstrates how to use the workflow editing tools to add tiles to your auto-generated workflows.
1. From the dashboard, right-click the workflow name and choose Edit.
The workflow opens in the workflow editor.
2. Add a Tag Spectrum tile to the workflow.
Workflow-generated spectra are saved in the OMNIC Paradigm database along with any data acquired manually. Let’s tag the workflow spectra to associate them with our workflow. This makes it easy to open and view them later.
b. Release the mouse button.
The tile is added to that location in the workflow and its settings box is opened below the canvas.
c. In the Tag Settings enter a base name for your workflow-generated spectra, such as “ATR Search Spectra”, make sure Select Spectrum is set to your measured spectrum (“Measurement - Sample”), and choose OK.
The Tag Measurement tile will automatically add the “ATR Search Spectra” tag to each spectrum generated by the workflow. We’ll explain how to search for those spectra later.
Now let’s explore what happens when we add a tile that flags an error.
3. Add a Report Template tile to the workflow.
b. In the Add Tile box, select the Template Report and choose OK.
The tile is added to that location in the workflow and its settings box is opened below the canvas.
Notice that the Report Template tile has a red border, which indicates the workflow won’t run successfully right now. If we view the Report Template settings, the boxes are all blank.
To fix the problem, we need to specify a template for the report and which results to include.
c. Set Template Type to your preferred report style (we are using the Search Results template), set Search Results To Display to your workflow’s output (“Search Result” in our example) and choose OK.
Notice that the red border is no longer there.
4. To save the updated workflow, click the Save button on the toolbar.
5.To run the workflow, click the Run button on the toolbar.
The workflow runs through all the steps and then displays the final report.
Click the arrow button to end the workflow.
6. Click the Dashboard button on the toolbar to return to the dashboard.
7. If you select the workflow in the Workflows list, the preview has been updated.
8. If you enter your tag in the Search box, the software shows you the workflow-generated spectra in the Measurements list.
To view the spectra in the spectral pane, use Shift + Click to select all four in the Measurements list, then right-click and choose “Open Selected Measurements.”
9. To see the workflow-generated report, click this arrow button and select “Reports.”
Before you head off to create more workflows, read through these answers to common questions about workflows and tips for solving any problems that may occur.
The workflow will not run to completion if it contains a tile with a red border.
If your workflow has a red bordered tile, use the mouse to hover over the tile for tips on how to solve the problem. Typically, the red border indicates the tile contains required options that have not been set. However, it can also mean the tile is “illegal.” For example, if you place a Processing tile before a Measure tile in a workflow, the Processing tile will have a red border and the workflow will contain an unresolvable error because there is no output spectrum to baseline correct.
Lock a workflow with a password so that it cannot be edited by others. A locked workflow cannot be edited, deleted, or duplicated and will not display a preview. When a workflow is locked, it can still be renamed or exported.
You can lock and unlock workflows only from the desktop interface of OMNIC Paradigm software.
If you lose or forget the password to a workflow, you can reset the password to unlock the workflow.
Only users with a Windows Administrator account type can reset a workflow password. To reset a password, run OMNIC Paradigm software as an Administrator.
The password is removed from the workflow and the workflow is unlocked.
A template workflow allows you to create a single workflow that can be run using dynamic values depending on the situation. For example, with a template workflow, you can create a single workflow that can be run using several different sampling accessories. The operator can select an accessory and the workflow will be updated automatically to use images, quantification methods, and variables that match the accessory.
To create a template workflow, use the Workflow Table tile. With the Workflow Table tile, you import a table of options and corresponding values from a CSV file. Then use the values throughout the workflow.
With a Workflow table tile, you can …
Using the Workflow Table tile requires you to build a CSV file of the options and data you want to include, configure the Workflow Table tile, and use the included data.
This image shows the table as a CSV file.
This example workflow uses the Workflow Table tile near the start
These image files match the file names in the CSV file
It is a good idea to test your workflow to be sure that everything is loaded and working as expected.
If you workflow includes measuring data, you may want to use the Simulator mode to simplify the test.
Note that if your workflow measures data, the measurements will be saved to your database just as they would during a normal workflow. You may wish to delete these measurements that use simulated data.
Workflow tiles are icons that represent the tasks a workflow can perform. Each tile has settings that define what the tile does when the workflow runs. To see a tile’s settings, add the tile to your workflow on the workflow canvas, then double-click the tile.
This reference of workflow tiles is organized alphabetically. Each tile description includes a description of available settings.
Send data and reports to a user specified location. This location can be on your local system or on a network or flash drive for alternate storage.
Corrects ATR spectra for the effects of variation in the depth of penetration and the shifting infrared absorption bands that occur with the ATR technique.
Setting | Description |
---|---|
Crystal type | Select the type of crystal used to measure the sample. |
Angle of incidence | Enter the angle of incidence that was used to measure the sample. See the specifications for the accessory to obtain this value. The Everest ATR Accessory: 45° The default value is 45.00 |
Sample refractive index | Enter the refractive index of the sample at 1000 cm-1. Most organic materials range between 1.45 and 1.55 at 1000 cm-1. Materials that contain carbon black have higher refractive index values (1.7 or higher). If you do not know the refractive index of your sample material at 1000 cm-1, we recommend using the default value of 1.5. |
Number of bounces | Enter the expected number of internal reflections of the infrared beam that occurred in the ATR crystal. See the documentation for your ATR accessory for information about crystal material, angle of incidence, and the number of bounces. The default value is 1.00 |
Select spectrum | ATR Correction is applied to the specified spectrum. |
Tile name | Sets the name of the tile in the workflow canvas. |
With a Decision tile, you can control the flow of the workflow based on criteria that you specify. For example, you can provide two separate paths based on whether or not a correlation search result had a match value above a specified threshold.
Setting | Description |
---|---|
Pass/Fail | Select a pass/fail decision type to use a previously generated pass/fail result as the decision criteria. For example, the Peak Analysis tile can generate a pass/fail result based on the measurement of the peak height. For instance, you can specify that if the peak height is above a given value, generate a pass result, and if it was below that value, generate a fail result. Then, you can use the decision tile to continue the workflow in two separate paths, depending on that result. |
Numeric Value | Select a numeric value to be used in the decision. The value can be data generated in a previous workflow tile or it can be a value that the operator entered using the Instruction tile. For example, you can check if the match value of a search result was above a specified threshold and continue the workflow based on that criteria. |
String Value | Select a string value to be used in the decision. The string can be data generated in a previous workflow tile or it can be text entered by the operator using the Instruction tile. With a string value, you can check if the selected value is equal to or contains your test string. For example, if you select Contains and provide “Poly” as the test string, the decision tile will evaluate to True if the selected value is Polystyrene. |
Spectrum Age | Control the flow of the workflow depending on the age of a spectrum. For example, you can check if a background spectrum is more than 20 minutes old before moving on to another step in the workflow and then measuring a new background if necessary. |
Tile name | Sets the name of the tile in the workflow canvas. |
Pauses the workflow for the indicated amount of time before proceeding.
Setting | Description |
---|---|
Delay (seconds) | The number of seconds that the workflow will remain paused |
Message | The message is displayed to the operator during the delay |
Tile name | Sets the name of the tile in the workflow canvas. |
Use the Embedded Workflow tile to include one workflow in another.
Using the Embedded Workflow tile, you can create one workflow for a subset of common tiles or processes and then reuse that workflow in many other workflows. If you want to change a setting or update a tile in the embedded workflow, you can make the change once rather than having to manually edit the settings in every workflow.
You can update any embedded workflows in the Workflow Editor. Open the workflow that includes the Embedded Workflow tile, right-click an empty space on the canvas and click Update Embedded Workflow(s). Then select any embedded workflows that you want to update.
It is recommended that you always keep embedded workflows up to date to ensure the workflows behave as expected.
Setting | Description |
---|---|
Delay (seconds)Select a Workflow file to import | Browse to a workflow file to use as the embedded workflow. If you update the embedded workflow, you must browse to the workflow and reload it or the changes will not be reflected in this workflow. |
Every workflow has at least one End tile. If your workflow includes Decision or Selection tiles, there may be more than one possible ending.
Setting | Description |
---|---|
End type | Choose Success or Failure for a visual indication of the workflows end state. The end type does not affect data in the workflow. It only provides a visual cue to the workflow developer. |
Note | Use the note field to enter text for a tooltip that appears when hovering over the tile in the workflow canvas. This is useful for providing a reminder to the workflow developer. For example, if used with a Failure end type, the note could summarize the test that caused the failure. |
Tile name | Sets the name of the tile in the workflow canvas. |
The Equation tile is an advanced tile for evaluating complex equations. You can include variables from other tiles in the equation and use built-in functions for common problems, such as calculating an average or rounding a value. You can also use functions to find peak height or peak location or to perform other operations on a spectrum.
The tables below list valid operators and functions.
Setting | Description | Example |
---|---|---|
+ | Addition | 15 + 4 = 19 |
- | Subtraction | 15 - 4 = 11 |
* | Multiplication | 15 * 4 = 60 |
/ | Division | 15 / 4 = 3.75 |
- | Negation | -15 + 4 = -11 |
mod | Modulo division (returns the remainder) | 15 mod 4 = 3 |
& | Text concatenation | "abc" + "def" = "abcdef" |
Operator | Description | Example | Result |
---|---|---|---|
< | Less than | 2 < 3 | true |
> | Greater than | 3 > 2 | true |
<= | Less than or equal to | 2 <= 3 | true |
>= | Greater than or equal to | 3 >= 2 | true |
=, == | Equals | 3 = 3, 3==3 | true, true |
!=, <> | Does not equal | 3 != 3 | false |
true | true = 1 | true | |
false | false = 0 | true |
Setting | Description | Example |
---|---|---|
AND | True if both operands are true | x AND y |
OR | True if either of the operands is true | x OR Y |
Setting | Description |
---|---|
Average(list) | The average of a list of numbers (sum divided by the number of items) |
Avg(list) | The average of a list of numbers (sum divided by the number of items) |
Max(list) | The highest value in the list |
Min(list) | The lowest value in the list |
AMax(list) | The absolute value of the maximum value |
AMin(list) | The absolute value of the minimum value |
Sum(list) | The sum of a list of numbers |
StdDeviation(list) | The standard deviation |
Std(list) | The standard deviation |
acos(number) | Arcosine of a number in radians |
asin(number) | Arcsine of a number in radians |
atan(number) | Arctangent of a number in radians |
aTan2(X1,X2) | Arctangent of X1 divided by X2 in radians. The signs of both arguments are used to determine the quadrant of the returned value. |
cos(radians) | Cosine of an angle measured in radians. |
cosh(radians) | Hyperbolic cosine of an angle measured in radians. |
sin(radians) | Sine of an angle measured in radians. |
sinh(radians) | Hyperbolic sine of an angle measured in radians. |
tan(radians) | Tangent of an angle measured in radians. |
tanh(radians) | Hyperbolic tangent of an angle measured in radians |
Pi() | Ratio of the circumference of a circle to its diameter |
abs(number) | Absolute value of a number. |
Ceiling(number) | Smallest integer greater than or equal to <number>. Example: Ceiling(2.2) is 3.0 |
Floor(number) | Largest integer less than or equal to <number>. Example: Floor(2.7) is 2.0 |
Round(number) | Rounds a floating point value to the nearest integer value. (tie rounds to the nearest even integer. 3.5 -> 4; 4.5 -> 4 |
sqrt(number) | Square root of a number. |
Truncate(number) | Truncated number. Everything to the right of the decimal point is removed, leaving only the integer portion of the number. The returned value is not rounded. |
Random() | Random fractional number between 0 and 1 |
exp(number) | Result of the constant e (2.7182818) raised to the power of the specified number (e^<number>) |
pow(base, power) | The base value raised to the power. Example: pow(2,3) = 8 |
log10(number) | Base 10 logarithm of a specified number |
log(number) | Base 10 logarithm of a specified number |
ln(number) | Natural logarithm (base e logarithm) of a number |
expneg(power) | Result of the constant e (2.7182818) raised to the negative power of the specified number (e^<-number>) |
ten(power) | 10 raised to the power |
tenneg(power) | 10 raised to the negative power |
negln(number) | Negative natural log |
neglog(number) | Negative base-10 log |
invsqrt(number) | Inverse square root |
toNumber(text) | Converts a text number to a numeral that can be used in equations. (“10” to 10) |
textLength(text) | Number of characters, including spaces, in the specified text. A CRLF is counted as two characters. |
Y(location [,baseline] [,baseline2]) | Y-axis value at the given location with a two-point baseline |
Area(start,end [,baseline] [,baseline2]) | Area between two spectral limits using a two-point baseline |
Pmin(start,end [,baseline] [,baseline2]) | Corrects the spectrum with a two-point baseline and then reports the minimum Y-axis value between two spectrum limits |
Pmax(start,end [,baseline] [,baseline2]) | Corrects the spectrum with a two-point baseline and then reports the maximum Y-axis value between two spectrum limits |
Ploc(start,end [,baseline] [,baseline2]) | Corrects the spectrum with a two-point baseline and then report the location (X-axis value) at which the maximum Y-axis value occurs between two spectral limits |
Pavg(start,end [,baseline] [,baseline2]) | Determines the average value of the spectrum between two spectral limits |
PkArea(start,end [,baseline] [,baseline2]) | Area between two spectral limits using a two-point baseline |
PkLoc(start,end [,baseline] [,baseline2]) | Corrects the spectrum with a two-point baseline and then report the location (X-axis value) at which the maximum Y-axis value occurs between two spectral limits |
PkMin(start,end [,baseline] [,baseline2]) | Corrects the spectrum with a two-point baseline and then reports the minimum Y-axis value between two spectrum limits |
PkMax(start,end [,baseline] [,baseline2]) | Corrects the spectrum with a two-point baseline and then reports the maximum Y-axis value between two spectrum limits |
Pwidth(start, end [,%height]) | Determines the peak width between two spectral limits. Report the width at which the peak reaches a specified percentage of the peak maximum. |
Pcut(start, end [,%height]) | Determines the location (X-axis value) of the cut-on or cut-off point in the specified spectral region. For example, for a region with increasing Y value, a cut-on point occurs where the increase reaches the specified percentage of total increase across the region. Here is an example showing a cut-on point with “percent” set to 60: |
Ghalfwidth(start, end) | Finds the width of a peak at half the peak height |
Slope(x1, y1, x2, y2, x3, y3, ...) | Returns the slope (y=mx+b) |
Intercept(x1, y1, x2, y2, x3, y3, ...) | Returns the intercept point |
ZSlope(x1, y1, x2, y2, x3, y3, ...) | Returns the zslope (y=mx) |
CorCoef(x1, y1, x2, y2, x3, y3, ...) | Correlation coefficient |
DoesFileExist(filename): | Accepts a full file path in quotes and returns true(1) or false(2). Example: DoesFileExist(“C:\Users\MyFiles\MyMethod.qnt”) |
Send data and reports to a user specified location. This location can be on your local system or on a network or flash drive for alternate storage.
Setting | Description |
---|---|
File base name | The base name is prepended to the full file name. When the file is archived, it is named according to the following template: <base name>_<workflow name>.<tile name of data creation>.<variable name>_YYYY_MM_DD_HHMMSS_<time zone in GMT>.<file extension> For example, with a base name of “example” and a workflow called “my workflow”, a spectrum collected on the Measure tile would be archived as the following: “example_my workflow.Measure.Sample_ 2019_06_25_104928_GMT-0500.spa” |
Append date and time to file name | If selected, the system appends the date and time that the data are saved to the file name. This ensures that a new file is created every time the workflow is run. If not selected, every time you run the workflow, the previously exported file will be overwritten with a new file. This is useful if you want to update one file, rather than create new files. |
File location | The directory in which the file will be archived. |
Tile name | Sets the name of the tile in the workflow canvas. |
Use the Instruction tile to provide additional instructions to the workflow operator. The Instruction tile can also include entry fields for the operator to enter text or numeric data. These entries can later be used in the workflow. For instance, text entered by the operator can be added to a custom report.
Setting | Description |
---|---|
Add Image | Add an image that the operator will see on the instructions screen during the workflow. Valid file types include: .PNG .JPG .GIF .BMP |
Add Text Box | Use to add text. This is useful for providing instructions to the operator and for adding labels to text and numeric entry fields. |
Add or Remove PDF | Provide a button that operators can click or touch to view a specified PDF. After adding the document button, click the button to specify the PDF file. |
Add or Remove Cancel Button | Provides a cancel button that the operator can click or touch to stop the workflow. |
+ Text Entry | Allows the operator to enter text which can be used later in the workflow. For example, the operator can enter a file path which can be used in the Archive tile. |
+ Numeric Entry | Allows the operator to enter a numeric value which can later be used as a variable in other tiles. For example, the numeric value entered can be used in the Decision tile as the condition in a Numeric Value decision. |
+ Value | Display data from a variable, such as match value of a result from a correlation search. |
Tile Name | Sets the name of the tile in the workflow canvas. |
Load a SPA file to use during the workflow. You can browse to a file location on the instrument computer or on a flash drive or network location.
This can be useful for importing a saved spectrum to use as a reference. For instance, you may want to import a reference spectrum to use in a subtraction operation.
Setting | Description |
---|---|
From file | Load a SPA file from a location on your system or your network. File name: Browse to a SPA file to include a spectrum. |
From database | Select to load a spectrum from the database. Selected spectrum: Choose a spectrum from the database. Choose during workflow execution: Allow the operator to select a spectrum during the workflow. Show only experiments containing this text: Limit the operator’s choice to only spectra that contain the specified text in the title or tags. |
Import spectrum every run | If selected, the spectrum is imported from the file system when the workflow is run. If the spectrum file is updated, the workflow will always use the latest version of the spectrum. If not selected, a copy of the spectrum file is imported when the workflow is created. This spectrum only changes if you manually edit the workflow and update spectrum files. Note that if you share this workflow or add it to a package, you will need to share the SPA file separately, and it must be saved on any other systems in the exact same file path specified in the Import Spectrum tile. |
Tile name | Sets the name of the tile in the workflow canvas. |
Use the measure tile to measure the background and a sample and to set the measurement settings. Spectra and reports created during the workflow are saved to the database and can be archived with the Archive tile.
Setting | Description |
---|---|
Background settings | Specifies whether the workflow will prompt the operator to acquire a new background, use a spectrum from another tile in the workflow, or measure a background only, without measuring a sample. |
Use internal polystyrene sample | If selected, an internal polystyrene reference sample installed in the instrument will be used to validate the instrument’s performance. |
Use background prompt | Select to provide instructions to the operator before measuring the background. It is a good idea to instruct the operator to prepare to measure the background. |
Use sample prompt | Select to provide instructions to the operator before measuring the sample. You may want to instruct the operator to insert the sample. |
Allow other workflows to access result of measurement | If selected, you can include spectra from this workflow in other workflows. For example, once this workflow is run and has measured a sample, a separate workflow could use the collected spectra as a reference spectrum or in a report. |
Show spectrum during measurement | Select to view the spectrum during the measurement. If not selected, operators see only a progress indicator. |
Progress text | Provide a custom message to operators during the background and sample measurement. |
Other Measurement Settings | Customize the measurement settings used in this workflow or match the settings used with another spectrum. Number of scans: The number of times that the sample will be scanned. More scans typically means for accurate data, but will take longer to measure. Atmospheric suppression: Used to suppress the effects of CO2 and H2O. Match Settings: Select to match the measurement settings used with a specified SPA or QNT file. Select All Settings to review all of the settings used with this measurement. Spectrum Title: Select to append variable data to the spectrum title. See Measurement Settings and Advanced Measurement settings for a description of additional settings. |
Tile name | Sets the name of the tile in the workflow canvas. |
Find peak locations or analyze the Peak Height or the Peak Ratio of a spectrum.
Setting | Description |
---|---|
Peak Height | Measure the height of a peak from zero absorbance (or 100% transmittance), without regard to the position of the baseline, or from the baseline. If measured from the baseline, the measurement is called the "corrected peak height." Peak position: Enter the wavenumber of the peak to be measured. Corrected: Select to measure the peak height from the spectral baseline rather than from zero absorbance (or 100% transmittance) Reference point: Select for single-point correction, using one point as the baseline reference. Reference range: Select for two-point correction, using a point on either side of the peak to calculate the baseline. Generate pass/fail result: Select to create a pass/fail result that can be used in a Decision tile. |
Peak Ratio | Find the ratio of height between two peaks. Peaks can be calculated from zero absorbance units or from a corrected baseline. Not corrected: The peak heights are measured from zero absorbance (or from 100% transmittance) Single-point corrected: The peak height will be measured from the baseline at the wavenumber you entered. Two-point corrected: A point on either side of the peak will be used to calculate the baseline. Generate pass/fail result: Select to create a pass/fail result that can be used in a Decision tile. |
Find Peaks | Find the locations of peaks in your spectrum. The resulting spectrum with labeled peaks is available as a spectrum in the Report tile and as a template option in the Template Report tile. |
Select spectrum | Select the spectrum that will be used in the peak analysis. You can choose from spectra generated in the workflow or imported with the Load Spectrum tile. |
Tile name | Sets the name of the tile in the workflow canvas. |
The Processing tile includes several tools for processing spectral data, including subtraction, normalization, correlation, basic spectral math, and baseline correction.
Setting | Description |
---|---|
Spectral Math | Perform basic operations using a sample spectrum and a reference spectrum. For more on spectral math, see "Apply Basic Equations to Acquired Data." |
Sample spectrum | The starting spectrum to which the operation will be applied. |
Reference spectrum | The reference spectrum used in the operation. |
Operation | Add Subtract Divide Multiply |
Spectral Math Type | Select a type of spectral math. Available options include
|
Normalization | Use Normalize to change the Y-axis scale of the selected spectra to a “normal” scale in which the Y values of the data points range from 0 absorbance units for the lowest point to 1 absorbance unit for the highest peak (for an absorbance-like spectrum) or from 10% to 100% transmittance (for a transmission-like spectrum). These normal scales are typical of spectra in commercial spectral libraries. After a spectrum is normalized, you cannot use it for quantitative analysis unless you know the scaling factor and adjust the quantitative results accordingly. |
Select spectrum | The starting spectrum to which the operation will be applied. |
Max range (cm-1) | Use to set the range used in the normalization. |
Min range (cm-1) | Use to set the range used in the normalization. |
Target value | Target value is specified in absorbance units. |
Derivative | Convert the spectrum to either its first or second derivative to help you find the location or intensity of peaks. |
Select spectrum | The spectrum to which the operation will be applied. |
Order | Select either first or second order derivative. |
Correlation | Returns the match value between the first and second spectrum. Like QCheck, the match value is given between 0.0 and 1.0, with 1.0 reflecting a perfect match. |
First spectrum | Select the starting spectrum that the second spectrum is being compared to. |
Second spectrum | Select a reference spectrum. |
Spectral range | Use the spectral range to exclude totally absorbing peaks from the correlation search. |
Scalar Math | Apply an operation to a single spectrum. |
Spectrum | Select the spectrum to which the operation will be applied. |
Operation | Add Subtract Divide Multiply |
Factor | Increases or decreases the amplitude of the spectrum so that it can be better compared to another spectrum |
Baseline Correction | Use to correct a baseline that is shifted. |
Select spectrum | Select a spectrum for which the baseline will be corrected. |
Polynomial order | Specify the polynomial order for the correction. |
Conversion | Convert a spectrum to another unit. |
Select spectrum | Select the spectrum to convert. |
Conversion type | Convert to one of the following:
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Blank regions | Clear the data from one or more regions of your spectrum. See "Blank a region in your spectra" for more information about blanking regions. Set the start and end points for the region to blank. Click Add to add more regions. |
Statistical spectra | Calculate the average and standard deviation of 2 or more spectra. View the resulting spectra in the Report tile. See "Calculate average and standard deviation spectra" for more information about calculating the average or standard deviation of spectra. Select 2 or more spectra, the calculation to perform, and the data format used in the calculation. |
Tile name | Sets the name of the tile in the workflow canvas. |
Loop a portion of the workflow to repeat steps.
Setting | Description |
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Repeat times | Sets the number of times that the looped portion of the workflow will repeat. |
Tile name | Sets the name of the tile in the workflow canvas. |
Create a custom report that can be stored, archived, or printed. Reports generated in the workflow are available in the Reports section of the dashboard.
Setting | Description |
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Add image | Add an image that the operator will see on the report screen during the workflow. Valid file types include: .PNG .JPG .GIF .BMP |
Add text | Use to add text. This is useful for providing instructions to the operator and for adding labels to text and numeric entry fields. |
Add or remove document | Provide a button that operators can click or touch to view a specified PDF. After adding the document button, click the button to specify the PDF file. |
Add spectrum | Add a spectrum to the report. Select any spectrum generated or loaded earlier in the workflow. |
Add value | Add a value from another workflow tile to the report. For example, if the workflow included a measurement and a search, you can include data from the results of the search. |
Add or remove print button | With a print button, operators can print the report while viewing the report screen. |
Tile name | Sets the name of the tile in the workflow canvas. |
Use the Run Program tile to have your workflow run an executable file. For example, use this tile to create a step in your workflow that runs a third-party automated sampling accessory.
Combine this tile with the Variable tile or other tiles to create powerful workflows. For example, use the count variable from the Repeat tile to automatically increment an argument passed to the executable.
The Run Program tile can run only executable files that do not require any user interaction and that do not have a user interface.
Setting | Description |
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Files | The executable to run. Note that if you run this workflow on another computer, that computer must have this same EXE in the exact same file path. |
Arguments | Pass arguments to the executable. To include variables in the command, select a variable from the list and click Add to Arguments List. When entering arguments, observe the following syntax requirements:
Example: “-p 6” “workflowname.variable.myVariable” |
Verify program file integrity at run time | Ensures that the executable is exactly the same file during runtime. When you create the workflow, the software stores the location and name of the executable file. If the file is replaced by a new executable with the same name, that file will be run instead. Select this option to ensure that the file is exactly the same file you selected when you created the workflow. We recommend leaving this selected to ensure that the exe has not been replaced with another file. If you update the exe intentionally, you must update the workflow as well. Turning this setting off is useful if you expect to update the EXE periodically and do not want to update the workflow. However, this may pose a security risk. |
Tile name | Sets the name of the tile in the workflow canvas. |
Exports collected data to a CSV file.
Setting | Description |
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Select data to export | Select available data that can be exported to the CSV file, such as peak heights or search result match values. |
Append to file | If selected, will append the exported data to an existing CSV file. To append the data to an existing file, enter the name of the file in the File Name field. If the file doesn’t exist, a new file will be created with the name you entered. |
File name | (only available if Append to File is selected) Enter the name of the file that the data will be appended to. If the file does not already exist, a new file will be created. |
File base name | (only available if Append to File is not selected) The file base name is added to the file name before the date and time. |
File location | The directory in which the file will be appended or created. |
Tile name | Sets the name of the tile in the workflow canvas. |
Perform a correlation or a multi-component search.
Setting | Description |
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Available libraries | Drag libraries from the Available Libraries column to the Selected Libraries to use them in the search. Click Refresh to update the list of available libraries. |
Search type | Set the type of search that will be performed. Correlation: Use to identify an unknown sample. Number of results: Set the number of results that will be shown. Multi-component: Use to identify the components of a sample. Number of components: Set the number of components that will be shown. |
Spectral Ranges | Add a start and end value for the region that will be searched. |
Select spectrum | Specify the spectrum that will be used in the search. |
Tile name | Sets the name of the tile in the workflow canvas. |
With a Selection tile, the operator chooses which path the workflow should follow.
Setting | Description |
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Add image | Add an image that the operator will see on the selection screen during the workflow. Valid file types include: .PNG .JPG .GIF .BMP |
Add text | Use to add text. This is useful for providing instructions to the operator. |
Add value | Add a value from another workflow tile to the report. For example, if the workflow included a measurement and a search, you can include data from the results of the search. |
Selection label | Edit the selection label to change the text that appears on the workflow canvas. |
This is the first tile in every workflow. The Start tile is added to the workflow canvas automatically each time a new workflow is created.
Setting | Description |
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Workflow image | Determines the image that is displayed when the workflow is run. Accepts a file path to an image file. The following file types are valid: .PNG .JPG .GIF .BMP |
Desired aspect ratio | Specify an aspect ratio to optimize the appearance of the workflow when it is run. The aspect ratio should match the display used by the operator as closely as possible. Examples: 4:3 for older computer monitors 16:9 is the standard for high-definition video and is common for current computer monitors Accepts the following: 1:1 4:3 5:4 16:9 16:10 3:2 2:1 |
Apply a tag to spectra created during the workflow.
Setting | Description |
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Tag | Apply a tag to a spectrum |
Select spectrum | Choose the spectrum to which the tag will be applied. |
Tile name | Sets the name of the tile in the workflow canvas. |
Generate a report from a template. Reports generated in the workflow are available in the Reports section of the dashboard. Most of the settings for a template report depend on the template type that is selected.
Setting | Description |
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Template type | Choose from the following template types:
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Automatically advance workflow after displaying report for 5 seconds | If selected, the workflow will advance after displaying the report for 5 seconds. If not selected, the operator manually continues the workflow. |
Generate pass/fail result | If selected, specify text that will trigger a fail result. For example, if you specify “fail,” the template report tile will generate a fail result if the report includes the text “fail.” |
Quantify the components of the sample using a specified quantification method.
Setting | Description |
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Quantification method | Select a QNT file for the quantification method. |
Select spectrum | Select the spectrum that will be used for the quantification. |
Tile name | Sets the name of the tile in the workflow canvas. |
Use the Variable tile to assign a new value to an existing variable or to create a new, custom variable. Variables created or edited with the variable tile can be used in other tiles.
Setting | Description |
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Operation | Select an operation type. The operation you select determines the other settings that are available. Set Variable: Use to set the value of a current variable. Create Variable: Use to create a new variable. |
Set Variable | Variable to set: Select a variable to change the value. Current variables: Provides a list of current variables in the workflow. Select one and click Add to Expression to include the variable in the expression. |
Create Variable | Numeric or Text: Select a type for the value of this variable. The type determines what operations are valid for this variable. For example, if you set the type to Text, you will not be able to use the value of this variable for calculations. Variable name: Enter a name for the variable Initial value: Enter a starting value for this variable |
Import a CSV file to use as a template for your workflow.
With the Workflow Table tile, you can import a table of options to use throughout the workflow. For example, with this tile, you can select one option when you begin the workflow and then automatically load specific variables, methods, and images throughout the workflow that correspond to that option.
Setting | Description |
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CSV file | Browse to a CSV file to import |
Select row automatically | Automatically select a row from the CSV file. |
Operator selection | The workflow operator selects a row manually during the workflow. Operator prompt: Text instruction to display to the operator. Column index for selection options: Specify the column to use as available options. The first column is index 1. Column index for selection images: You can also display an image along with the selection options. Set the index to 0 if you are not using images. |
Included files | Shows what files are expected based on the CSV file and how many have been included in the workflow.
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