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Thermo Fisher Scientific

Workflow Tiles Reference

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.

 

Advanced Spectral Math

This feature allows you to perform the same advanced spectral math available in the Spectra view in the software. For information on using custom operations, see "Advanced Spectral Math".

Setting

Description

Equation builder The top of the tile settings shows the equation and the available operations. Select an operation to add it to the equation. Select the ? in the equation to add a spectrum.
Spectrum tabs This area shows the spectra that are available to use in the equation. To make more spectra available, you must either collect them with a measure tile or load them with the Load Spectrum tile.

Tile name

Sets the name of the tile in the workflow canvas.

ATR Correction

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.

Decision

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

Ccontrol 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.

Delay

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.

Embedded Workflow

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

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.

End

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.

Equation

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.

Arithmetic Operations

Operator

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”

Comparison operators return O for false or 1 for true.

Comparison Operations

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

Logical Operations

Operator

Description

Example

AND

True if both operands are true

x AND y

OR

True if either of the operands is true

x OR y

In the table below, parameters surrounded by square brackets (‘[]’) are optional.

Functions

Operator

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 log of number

log(number)

Base 10 log of 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

PkHgt(start,end [,baseline] [,baseline2])

Finds the height of a peak

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:

Paradigm-functions-pcut.png

 

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

Laser(x1, y1, x2, y2, x3, y3, …)

Calculates the best laser frequency for the instrument under the conditions in which the spectrum was measured.

x1, x2, x3 … refer to the measured values of a peak or feature of the spectrum.

y1, y2, y3 … refer to the true values of the corresponding peak or feature.

The output of the function is the value of the laser frequency that would move the measured value as close as possible to the true, actual value.

DoesFileExist(filename):

Accepts a full file path in quotes and returns true(1) or false(2).
Example: DoesFileExist(“C:.qnt”)

 

TQ Functions: These functions allow you to work with information from a TQ method

Operator

Description

M(name)

Returns the measurement method used

V(name)

Returns the composite component

C(name)

Returns the concentration of the component (name)

U(name):

 

Returns the uncertainty associate with the concentration of component (name)

TQ_Y(value):

Enter the index value for the Y file. The first element is index 1.

TQ_Z(value)

Enter the index value for the Z file. The first element is index 1.

U_Set(index, value)

Sets the value at the index

TQ_UU(value)

Access the user values attached to a TQ method

UU_Set(index, value)

Sets the user value at the specified index

 

Export

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

Select data to archive

Choose from available spectra and reports created or imported during the workflow.

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.

Instruction

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 Spectrum

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 or you can load a spectrum from the database.

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.  This tile can also load a list of spectra that you can access with the List tile.

Setting

Description

From file

Load one or more SPA files from a location on your system or your network.

File names: Browse to a SPA file to include a spectrum.

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.

From database

  • Select to load a spectrum from the database.

  • Selected spectrum: Choose a spectrum from the database.

  • Choose while running the workflow: Allow the operator to select a spectrum during the workflow.

    • Create a list of spectra: Allow the operator to select multiple spectra

    • Show only measurements that include ... : Limit the operator’s choice to only spectra that contain the specified text in the title or tags.

From query

Database query: Select Modify Query to update the query text. In the Select Spectra dialog, enter the text to use for the query. This is similar to searching for measurements elsewhere in the software. The results in this dialog show all measurements that will be included in your query. Use the time range list to limit results to a specific time range.

Selected date range: This field shows the time range selected when modifying the query.

Tile name

Sets the name of the tile in the workflow canvas.

List

Use the List tile to add to, select from, or iterate through a list of spectra in the workflow. See Working with lists in workflows for help on how and when to use the List tile.

Setting

Description

List Mode

  • Add to list: Select this option to add more spectra to a list. For example, you might create a loop with the repeat tile and in that loop, use the Measure tile to measure a new spectrum and then this tile to add it to a list. You can then later use another List tile to select from or step through the list.

  • Select from list: Select this option to access a single spectrum from a list. Select Choose while running the workflow to allow the operator to select a spectrum while running the workflow. Leave this option unselected to instead use the index to select the spectrum.

  • Step through list: Select this option to access every spectrum in a list. For example, if you want to perform the same correction or basic spectral math on every spectrum in your list, pair this option with the repeat tile to iterate through the list and process each spectrum. See “Working with lists in workflows” for information about pairing this tile with the repeat tile.

Measure

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.

Correction settings

Apply Atmospheric suppresion and/or a Kramers-Kronig correction.

Use sample shuttle Select to move the sample shuttle in and out of the beam path.
Settle time (sec) Select to allow the instrument to stabilize before measuring.

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 sample prompt

Select to provide instructions to the operator before measuring the sample. You may want to instruct the operator to insert the sample.

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.

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.

Validate before measuring

Checks that the system is using compatible, valid settings before measuring.

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.

  • All Settings: Displays all settings for the instrument and measurement.

  • Match Settings: Select to match the measurement settings used with a specified SPA, QNT, or EXPX file. Select All Settings to review all of the settings used with this measurement.

  • Measurement Name: Select to overwrite or append variable data to the measurement name .

  • 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.

Peak Analysis

Find peak locations or analyze the Peak Height or the Peak Ratio of a spectrum.

Setting

Description

Peak Area

Measure the area under a peak from zero absorbance (or 100% transmittance), without regard to the position of the baseline, or from the baseline. To specify the baseline, select Corrected and enter a range.

Generate pass/fail result: Select to create a pass/fail result that can be used in a Decision tile.

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 Area Ratio Find the ratio of area between two peaks. Peaks can be calculated from zero absorbance units or from a corrected baseline.

Peak Height 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

Processing

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

  • Factor
  • Pathlength
  • Range

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: 

  • Absorbance

  • % Transmittance

  • % Reflectance

  • Log 1/Reflectance

  • Kubelka-Munk

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

Repeat

Loop a portion of the workflow to repeat steps.

Setting

Description

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.

Report

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

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 variable

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 table display a table of results, such as from TQ Analyst / Quant method or peak analysis. Displays results from previous instances of running the workflow, not just from the current run.

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

Run Program

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 run s 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

File name 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:

  • Each argument must be enclosed in double quotes (“”)

  • Separate arguments with spaces

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.

Save Result

Exports collected data to a CSV file.

Setting

Description

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

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

Selection

With a Selection tile, the operator chooses which path the workflow should follow.

Setting

Description

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.

Spectral Metadata

Use this tile to read metadata on a spectrum and convert it to usable variables or to update metadata on a spectrum.

Setting

Description

Operation

Read: Select Read to get metadata from a spectrum. You can then access this data as variables in the workflow. For example, if you want to include the spectrum comments in a custom report, select Read and the Comments option in this tile and then use Add Variable in the Report tile.

Write: Select Write to edit the metadata on a spectrum. For example, use this option to change the title of the spectrum or to add a comment.

Input spectrum

Select the spectrum you want to access the metadata of. The spectrum must already be available in the workflow from a Measure, Load Spectrum, or similar before this tile is used.

List of metadata attributes

The tile settings show the list of metadata attributes that you can access.

  • If you are reading data, select the data you wish to convert to variables.

  • If you are writing data, select an attribute and provide the new value.

Start

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

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

 

Sub Workflow 

See Using the Sub Workflow and Embedded Workflow tiles for a description of using the Sub Workflow tile. 

Setting

Description

Select a workflow file Select the workflow that you want to use as the sub workflow.
Required input variables

Create the required input variables in the Start tile of the sub workflow.

Here, select the variable you want to send to the sub workflow.

Output variables This area lists all the variables you can return from the sub workflow. Select the variables you want to return and work with in the main workflow. Only those that are selected will be available in other tiles in this workflow.
Reset sub workflow values before execution Select to reset all values in the sub workflow to their default state before running the workflow.
Tile name Enter a name for this tile.

Tag Spectrum

Apply a tag to spectra created during the workflow.

Setting

Description

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.

Template Report

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

Template type

Choose from the following template types:

ValPro style

Single spectrum

Multiple spectra

Search results

Single quantification

QCheck

Multiple run quantification

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.”

TQ Analyst

Quantify the components of the sample using a specified quantification method.

Setting

Description

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.

Variable

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

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

Workflow Table

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

CSV file

Browse to a CSV file to import.

Browse to select a new file. Reload to check the file for updates.

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.

  • Select Add to add one or more files.

  • Select Manage to view or remove included files

Tile name

Sets the name of the tile in the workflow canvas.

Setting

Description

   

Auto load row

If you select this option, the operator will not be able to choose an option. Specify the row number to load.

You can use a variable as the row number. This can be useful increment each row using the repeat count value from a Repeat tile.

File Name

Browse to a CSV file to import.

Row selection information

These settings determine the operators options when running the workflow.

Column index to display: Determines which terms are used in the selection screen. The first column is index 1.

User Prompt: The text instructions the operator will see on the options screen.

If the CVS file includes images, QNT, or SPA files, you must load each of the files. Click Included <file> to see which files are already loaded.

 

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