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Spectroquant® Prove Connect

to LIMS

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9 Operation – 9.13 Results and Measurement Datasets

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Data Transfer from Spectroquant® Prove with Prove Connect (LIMS)Thank you for choosing Prove Connect.

Prove Connect is a desktop application to connect your Spectroquant® Prove instruments to laboratory software systems such as LIMS and ELNs. The software receives measurement data from Spectroquant® Prove instruments over the network and provides it to laboratory information systems.

Prove Connect runs as a service and supports the following file- formats: AnIML, XML and CSV. This allows an easy integration of Spectroquant® Prove in-struments into an existing laboratory IT infrastructure

InstallationSystem Requirements

Prove Connect supports the following instruments:• Spectroquant® Prove 100• Spectroquant® Prove 300• Spectroquant® Prove 600

The software requires a computer with the following specifi-cation:

• Microsoft Windows 7, Windows 8, Windows 10, Windows Server 2012 (32 and 64 bit editions are supported)• 1 GB of free disk space• 4 GB of RAM• Network Connection

Other configurations may work but are not officially sup-ported.

Installing Prove ConnectWindows administrator rights are required for installing Prove Connect. Start the installation with PoveConnectSetupVx.exe.

Destination FolderPlease select a folder where Prove Connect should be in-stalled or accept the default 1 . If the folder does not exist, the new directory will be created.

Click Next 2 to continue.

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Select Start Menu FolderStart the installer.Setup will create shortcuts in the selected Start Menu folder 1 .


Additional TasksPlease choose if a desktop icon or a quick launch icon on the taskbar should be created 3 .

Please select ‘Automatically start on login (auto startup)’ 4 if Prove Connect should start automatically when the user logs in to Windows.


Ready to InstallAll settings are shown again. Confirm settings to start in-stallation or click Back 6 to review or change any settings.

Click Install 7 to continue with the installation.

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Installation ProgressDuring the installation progress the installer copies the required files to the PC. The firewall is configured to allow the Spectroquant® Prove instruments to communicate with Prove Connect.

After setup has finished installing Prove Connect you can choose to immediately launch the application 1 .

Click Finish 2 to continue.

Installation CompletedProve Connect is now installed and ready to use. The first time Prove Connect is started a Prove Connect folder is created in the home directory of the user. This folder is required to save the log files..

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Activate License File If you do not have a proper license file for the trial or full version, you get the following message.

Please download the licence file for the trial version under:Link to (BSSN Download Page)Or buy a licence in our Merck MIllipore webstore:Link to Ecommerce

Copy the license file then in the installation folder(usual: C:\Program Files (x86)\Prove Connect\License

3. Copy the license file in the folder License (usual: C:\Program Files (x86)\Prove Connect\License

2. Open the installation folder License. (usual: C:\Program Files (x86)\Prove Connect\License

1. Open the installation folder. (usual: C:\Program Files (x86)\Prove Connect

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Connecting Spectroquant® Prove to the networkUse the Ethernet port 1 on the back side to connect Spectroquant® Prove to a local network. A network cable (RJ45) is required (not included).

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NOTEAfter physically connecting the Spectroquant® Prove to the network (re)start the instrument.

To configure the network in the Spectroquant® Prove switch to ‘Network’ 2 on the System screen.

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Select ‘Enable DHCP’ 3 if a DHCP-server is available in the network or select ‘Use static address’ and enter the network parameter (IP address, netmask, gateway, proxy) provided by your system administrator into the configuration menu. To confirm click the save button 4 .

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The network connection of the Spectroquant® Prove is suc-cessful if an IP address 5 appears in the status bar.

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Establishing the Connection and Starting the Program Starting Prove Connect

If Autostart was selected during installation, Prove Connect will be started when the user logs in to Windows. Prove Connect can be started manually from the Windows start menu, a desktop shortcut or from the installation di-rectory by double-clicking on the Prove Connect icon.Administrator rights are required to run the application. The PC needs to be connected to a local network. To setup Prove Connect in the Spectroquant® Prove instrument you need your PC's IP address.This address needs to be entered in the Spectroquant® Prove settings as described below.

Connecting Spectroquant® Prove Instrument to Prove Connect Connect the Spectroquant® Prove instrument to the net-work.

Enter the IP address 3 and Port 4 of the computer Prove Connect is running on into the instrument.

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Enable Prove Connect in the Prove System menu 1 . Set the checkmark for Use on- site service 2 .

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Open the field IP adress 5 .The entryfield appears.Enter the IP address 3 into the instrument.Confirm the enterd IP adress with OK 6 .

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Open the field Port 7 . The entryfield appears.Enter the Port 4 into the instrument.Confirme the enterd Port with OK 8 .

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After uninstalling the Prove Connect software from the PC, the new IP address and port must be communicated to the instrument. Disable prove connectand save the settings. Disabel use on-site service. Fill in IP Adress and Port. Press save Icon again.

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After setting all properties (Checkmark, IP and Port) press the save icon 1 .The Spectroquant® Prove are now conneting to the Net-work.If the conneting is succesfull the cloud icon 2 appers in the instrument display.The Spectroquant® Prove is now ready to transfer data to Prove Connect. All measurements are now transferred to the Prove Connect application.

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Connecting Spectroquant® Prove Instrument to Prove Connect via proxyTo set the network connection via a proxy please proceed as follows.

NOTEThese settings should be made by your system administra-tor.

Connect the Spectroquant® Prove instrument to the net-work.Enable Network 3 in the Prove System menu.

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Enable Proxy config 4 in the Network menu.

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The Proxy config menu appears 5 . By pressing the entry filed the keyboard appears for seting the following param-eters.HTTP Proxy 6 , Port 7 , User 8 and Password 9 . By pressing the OK - Button 10 the parameters are stored in the instrument and the menu closed. By taping the X- Button 11 all parameters are discarded and the menu closed.

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Enable proxy 1 in the Network menu.

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Enable Prove Connect in the Prove System menu 2

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Open the field IP adress 6 .The entryfield appears.Enter the IP address 4 into the instrument.Confirm the enterd IP adress with OK 7 .

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Set the checkmark for Use on-site service 3 .

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After setting all properties (Checkmark, IP and Port) press the save icon 1 .The Spectroquant® Prove are now conneting to the Net-work.If the conneting is succesfull the cloud icon 2 appers in the instrument display.The Spectroquant® Prove is now ready to transfer data to Prove Connect. All measurements are now transferred to the Prove Connect application.

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Connecting Spectroquant® Prove Instrument to Prove Connect via static IPTo set the network connection via a static IP please proceed as follows.NOTEThese settings should be made by your system administra-tor.

Connect the Spectroquant® Prove instrument to the net-work.

Enabl Network 3 in the Prove System menu.

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Enable Use static address 4 in the Network menu.

All parameters are discarded and your sytem administra-tore can be set the static network paramters. By taping the particulare entry filed a keyboard appears, with press-ing OK the parametrs are acceptedIP adress 5 , Netmask 6 , DNS1 7 , DNS 2 8 , Gate-way IP 9 .

By pressing the OK-Button 10 the parameters are stored in the instrument and the menu closed. By taping the X- Button 11 .

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Set the checkmark for Use on- site service 3 .


Open the field IP adress 6 .The entryfield appears.Enter the IP address 4 into the instrument.Confirme the enterd IP adress with OK 7 .


Enable Prove Connect in the Prove System menu 2 .

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After setting all properties (Checkmark, IP and Port) press the save icon 1 .The Spectroquant® Prove are now conneting to the Network.If the conneting is succesfull the cloud icon 2 appers in the instrument display.The Spectroquant® Prove is now ready to transfer data to Prove Connect. All measurements are now transferred to the Prove Connect application.

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Three output file formats can be selected: CSV, AnIML, XML. To enable a data format, activate the corresponding check-box and select an output directory. The directory selector allows you to specify the target directory of your Spectro-quant® Prove data. Any changes are applied instantly.

Operation ConfigurationWhen Prove Connect is running a system tray icon 1 appears in the Windows task bar. Right-clicking this icon opens a pop-up menu listing 2 the following items:

‘About’ 3 shows a message dialog with information about the current version of Prove Connect. For closing the win-dow click OK Button 4 .

‘Exit’ 9 stops Prove Connect. Note that this will stops all connections between Spectroquant® Prove instruments and Prove Connect. Stopping Prove Connect needs to be con-firmed in the confirmation dialog 10 .

‘Licenses’ 5 shows a text file 6 with information about the current licens of Prove Connect. For closing the text file clickX-Button 7 .

‘Help’ 8 Click on the Help menu, opens a sub menu with the following items

• Contact us

‘Display Confirmation Window’: Prove Connect provides a graphical configuration interface to configure the output

Example target directory XML

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Transferring Data from Spectroquant® ProveAfter successfully installing and running the application, Prove Connect acts as a background service waiting for data from Spectroquant® Prove instruments. If Prove Connect is enabled in the settings of the Spectroquant® Prove all measurements are transferred.

Prove Connect converts the data from the measurement into the selected output formats and saves them in the specified directories. This overall process happens seam-lessly in the background. The target system (i. e. LIMS) needs be configured to monitor the directory for new files. The specific file-format description can be found in the sec-tion Output Formats.

For monitoring the background process Prove Connect has an activity stream. It can be opened by selecting the ‘Activity’ tab next to the configuration screen 1 :

The activity stream provides information about the process running in the background. TimeStamp 2 : Date and time of eventFile Name 3 : Name of file Action 4 : Description of eventResult 5 : Success, error or warning

If an error occurs, a red warning symbol appears in the column Result 5 . Moving the mouse over the error symbol shows more information in a tooltip.

Log files are written to ensure full traceability. Log files are saved for 30 days

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Prove Connect is intended to run as a background service waiting for data from Spectroquant Prove instruments. Clicking the close button or icon does not exit the applica-tion but only closes the Configuration screen

Example target directory AnIML

Example target directory CSV

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Deinstallation To uninstall Prove Connect run ‘unins000.exe’, which can be found in the installation directory of Prove Connect (i. e. ‘C:\Program Files (x86)\Prove Connect’) or use ‘Add or Remove Programs’ program from the Windows Control Panel. A dialog field apperas to confirm the deinstalation of Prove Connect Software. Click the YES - Button 1 to start the deinstalation. The uninstaller detects whether the Prove Connect application is still run-ning and warns the user. It then removes all program files and the application icons. The Prove connect software folder structure is not deleted. License and log files still available on the PC.

The log files and measurements are not deleted after unin-stalling Prove Connect.

After confirmation a process bar appears which shows the status of the deinstallation

Was the deinstalation successful, the following message ap-pears. Press OK 2 to close the window.

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Log-File A log file via the data transfer is contained in a log folder, which is located in the same folder as the trasnfered files. A new one is generated daily. The log file contains information for experts, e.g. Information for Company Service.

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Output Formats Prove Connect provides three different output file formats:1. AnIML: Analytical Information Markup Language, XML-based data standard 2. CSV: Comma separated values: Text Text-based, human human-readable format.3. XML: Original file format provided by Spectroquant® Prove

AnIMLProve Connect supports the ASTM AnIML data format for analytical data. The format is designed for vendor-indepen-dent representation of analytical data. It supports data from many measurement techniques. Prove Connect provides AnIML output for the following experiment types:

• Concentration measurement with Spectroquant® test kits• Spectra• Kinetics

The AnIML data format is supported by most XML-enabled LIMS and ELN applications from several vendors, including iCD, LabWare and IDBS.

An AnIML file is composed of two main sections: a ‘SampleSet’ section which is used to describe the set of samples that are used, and an ‘ExperimentStepSet’ section which defines the set of experiments performed on these samples.

Sample ElementsThe AnIML file contains multiple ’sample’ elements. Each represents a material specimen that was involved in an experiment. A sample element can have the following at-tributes: ‘sampleID’, ‘containerType’, ‘name’, ‘barcode’ and ‘comment’. Sample elements support a sub-element called ‘Category’ which provides details about the sample proper-ties through multiple ‘Parameter’ elements.A concentration measurement contains two sample ele-ments, a test sample and a test kit sample.

Test SampleThe first sample element describes the measured sample. This is the sample that was placed in the cell. The sampleID attribute contains the sample ID entered on the Prove user interface or using a barcode scanner connected to the Prove.

Test Kit SampleThe second sample element describes the Spectroquant® test kit that was used. The test kit information is obtained from the barcode on the test tube. The following information is recorded:

• Analyte – the substance that is quantified by the test• SKU – the Merck part number of the test kit• Expiration Date – the date and time until the test kit may be used• Lot Number – the production lot number of the test kit

This information improves traceability and can help trouble-shoot problems. It could can be used for inventory tracking in your LIMS or ELN system.

ExperimentStep ElementThe ExperimentStepSet element contains an ‘ExperimentStep’ element. An ExperimentStep describes a single measurement.

Sample ReferencesThe ExperimentStep is linked to the samples that are used through the ‘SampleReference’ elements inside the ‘Infrastructure’ element: the ‘SampleReference’ element contains the same ‘sampleID’ as the ‘Sample’ it refers to, as well as other information such as the role and purpose of the sample in this particular experiment step.

The ‘Infrastructure’ element contains also a ‘TimeStamp’ element, i. e. the exact time of the experiment.

The ‘Method’ element describes the method number, and the device.

The ‘Result’ element provides the analyte type and the con-centration result through two ‘Parameter’ elements named ‘Analyte’ and ‘Concentration’.

The following figures show AnIML examples of a Concentra-tion, Kinetics and Spectrum measurement.

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Concentration

1. Reference to used sample 12. Measurement time 23. Methode number 34. Device 45. Citation 56. Value 67. Unit 78. Concentration results 8

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Kinetics

1. Reference to used sample ID 12. Device Info 23. Instrument setings related to kinetics 34. Value 45. Unit 56. Series set length: number of mesuarment points 67. X axis values 78. Start value 89. Increment value 9 10. Unit 1011. Y axis encoded: Values apsorption 11

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Spectrum

1. Reference to used sample ID 12. Measurement time 23. Device Info 34. Series set length: number of mesuarment points 45. X axis values wavelength 56. Start value 67. Wavelength increment 78. Unit 89. Y axis encoded values: Intensity 9

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CSVThe CSV output format is structured in the following way. All fields are separated by a ‘;’ character.

Generic InformationThe second part concerns generic information provided about the sample and experiment step presented in one line com-posed of multiple columns details are not measurement-specific:

• sampleID • sample name • sampleContainer type: the type of the vessel used to hold the sample • experiment-Step ID • experimentStepName • samplePurpose: purpose of the sample during this experiment step • methodName: number of the method used • timeStamp: exact time of the measurement

The following figure presents the above details graphically:

Device InformationThe first section of the CSV file provides the following information about the instrument:

• Device manufacturer • Device name • Device serial number • Device software version

The following figure presents the device information section of a CSV output graphically:

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Measurement-specific InformationThe second part concerns generic information provided about In addition, there are measurement measurement-specific information details are also provided, depending on the measurement type. Concentration

• analyte • concentration: result of the measurement • unit • citation

The following figure presents a complete CSV file of a concentration measurement:

KineticsFor a kinetics measurement, the following specific details are provided by Prove Connect:

• mode: mode of capturing the measurement values • resultClass: measurement type • duration: duration of the measurement in seconds • interval: time interval between measurement points, in seconds• wavelength: the fixed wavelength configured on the Prove instrument for this kinetics measurement• result: a table composed of two columns: time and value, each entry in this table presenting a measurement value at a specific point of time

The following figure presents a CSV output file of a kinetics measurement:

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SpectrumFor spectrum measurement, the following specific details are provided:

• mode: mode of capturing the measurement values• resultClass: measurement type• wavelengthStart: initial wavelength • wavelengthEnd: final wavelength• wavelength Increment: incremental value used to increment the wavelength between the consecutive measurement points• result: a table with two columns: wavelength and value, each entry in this table presenting a measurement value for a specific wavelength (the wavelength values are equidistant)

The following figure presents a CSV output file of a spectrum:

XMLThe original file format provided by Spectroquant® Prove is based on XML. This format is also used to generate the other two formats. It is structured as follows:

Root ElementThe first tag in the XML file is the root tag/element. It indicates the measurement type:

• 1-Concentration: • 2-Kinetics: • 3-Spectrum: • 4-Abs/Trans:

Result Header ElementThe second tag is a generic tag that is not dependent on the measurement type. It is called ‘resultHeader’ and provides information about the used device, user, method and other meta-data information such as the timestamp.

Result Header AttributesThe result header element contains the following attributes:

• resultClass: indicating the measurement type (possible values: ABS-TRANS, CONC, KINETICS, SPECTRUM)• userId: ID of the user who made the measurement• sampleId: ID of the used sample

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The following XML elements change between the different measurement types:

Measurement-specific Elements

ConcentrationFor a concentration measurement, the following specific elements are defined:

• ConcentrationResult: defining the result of the measurement • RenderedResult: indicating the same information as displayed on the monitor of the Spectroquant® Prove device

The following figure shows an XML file of a concentration measurement:

KineticsFor a kinetics measurement, the following specific elements are defined:

• kineticsParam: defining the instrument settings related to this type of measurement, such as the mode and the wavelength (settings are configured by the user before starting the measurement)• measValues: presenting the result value of each measurement point using the child elements ‘value’ inside the child element ‘wavelength‘

The following figure shows an XML file of a kinetics measurement:

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SpectrumFor a spectrum measurement, the following specific elements are defined:

• spectrumParam: indicating the instrument settings related to this type of measurement, such as mode and the wlDelta (wavelength increment), wlstart (initial wavelength), wlEnd (final wavelength).• measValues: presenting the result value of each measurement point using the child elements ‘float’.

The following figure shows an XML file of a spectrum measurement:

Merck and the vibrant M are trademarks of Merck. © 2017 - All rights reserved.

Manufactured by Merck KGaA, 64271 Darmstadt, Germany, Tel. +49(0)6151 72-2440www.analytical-test-kits.com

Distributed by EMD Millipore Corporation, 290 Concord Road, Billerica,MA 01821, USA, Tel. +1-978-715-4321

We provide information and advice to our customers on application technologies and regulatory matters to the best of our knowledge and ability, but without obligation or liability. Existing laws and regulations are to be observed in all cases by our customers. This also applies in respect to any rights of third parties. Our information and advice do not relieve our customers of their own responsibility for checking the suitability of our pro-ducts for the envisaged purpose. The life science business of Merck operates as MilliporeSigma in the U.S. and Canada.

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