KA01717C/66/EN/01.24
70219499

ProductsSolutions

Services

Brief Operating Instructions
Raman data libraryBrief Operating Instructions

Raman data library

Table of Contents
1

About this document .................................................................................................... 3

1.1

Safety symbols ................................................................................................................................................................. 3

1.2

Safety................................................................................................................................................................................ 3

1.3

Documentation ................................................................................................................................................................ 3

2

Raman data library workflow ...................................................................................... 5

2.1

Logging in (cGxP version only) ...................................................................................................................................... 5

2.2

Online and offline modes ............................................................................................................................................... 6

2.3

User interface .................................................................................................................................................................. 63

How to start ................................................................................................................... 8

3.1

Importing Raman spectra and creating datasets .......................................................................................................... 8

3.2

Spectral sources ............................................................................................................................................................... 92

Endress+Hauser

Raman data library

1Brief Operating Instructions

About this document

These instructions are Brief Operating Instructions. They are not a substitute for theOperating Instructions pertaining to the device.

1.1

Safety symbols

Structure of Information
WARNING
Causes (/consequences)
Consequences of non-compliance (if applicable)‣ Corrective action
CAUTION
Causes (/consequences)
Consequences of non-compliance (if applicable)‣ Corrective action
NOTICE
Cause/situation
Consequences of non-compliance (if applicable)‣ Action/note1.2

Meaning
This symbol alerts you to a dangerous situation.
Failure to avoid the dangerous situation can
result in a fatal or serious injury.

This symbol alerts you to a dangerous situation.
Failure to avoid this situation can result in minor
or more serious injuries.

This symbol alerts you to situations which may
result in damage to property.

SafetyFor information about the safe operation of Raman Rxn analyzers and the Raman RunTime
Software, view the Raman RunTime v6.5 Operating Instructions (BA02180C). It is
recommended that the Raman RunTime v6.4 (or newer) Operating Instructions be read fully
before using the Raman data library.

1.3

Documentation

All documentation is available:•On the Endress+Hauser mobile app: www.endress.com/supporting-tools•

In the Downloads area of the Endress+Hauser website: www.endress.com/downloads

This document is an integral part of the document package, which includes:
Part Number

Document Type

Description

BA02367C

Raman data library User
Operating Instructions

A complete overview of the software features andfunctionality for spectral data analysis.

BA02349C

Raman data library
Administrator OperatingInstructions

A complete overview of the operations related to
managing security and the Raman data library
database.

Endress+Hauser

3

Brief Operating Instructions

4

Raman data libraryPart Number

Document Type

Description

TI01802C

Raman data libraryTechnical Information

Planning aid for your data analysis system. The
document contains all the technical data for thesoftware.

Endress+Hauser

Raman data library2

Brief Operating Instructions

Raman data library workflow

Raman data library has features and functions that can help build a workflow for spectral
data analysis. A suggested workflow is shown below. Once you complete one portion of theworkflow, such as importing data or applying pretreatments, the software opens the next
step in processing your data.

Raman data library suggested workflow

Create project

Add spectral sources

Apply pretreatments

Define peaks and regions

Define views and dashboard

2.1

Create dataset

Create templates

Logging in (cGxP version only)

In the cGxP version, you must log in to open Raman data library. The login name andpassword are both required fields. The login name is not case sensitive. For example, thelogin name “Jane” is equivalent to the name “jane.”
As a security precaution, if a user makes a configurable number of unsuccessful login
attempts, they are automatically locked out. An administrator must be contacted to reenable a locked-out user.
Use the following instructions to log into Raman data library for the first time.
1. After installation, confirm the Endress+Hauser Raman data library service is running in
the list of Windows Services.
2. Double-click the Raman data library shortcut.

A0056090

Figure 1. Raman data library desktop icon

3. Log in to Raman data library with the first-time login information:

Endress+Hauser

5Brief Operating Instructions•The username is Administrator.

•The password is Administrator1.

Raman data library

You are required to change the password. Make note of the new administrator
password.
When using system user authentication, create an additional user at this point. Adding one
user in addition to the default administrator allows the administrator password to be reset
if needed. Refer to Creating a new user in Raman data library User Operating Instructions(BA02367C).

2.2

Online and offline modes

Raman data library can be utilized from two different modes:
Online. Live data from a Raman analyzer flows into the modeling software, offeringreal-time compositional analysis.
Offline. Datasets are imported and can be analyzed independently of real-timeprocesses. In offline mode, you can also create templates from known analytes, creating
models and dataset templates to use and compare with real-time data.

••

Using these two modes enable you to understand and act upon the Raman spectra gathered
in real-time process environments.

2.3

User interface

When launching Raman data library for the first time, a blank dashboard displays with leftside menu icons. Raman data library opens to a blank dashboard until a dataset is loaded
and views are configured.
To ensure the intended UI experience within Raman data library, set your display scaling to100 %.
2.3.1

Menus

Main menu
The main menu on the left side of Raman data library provides navigation between
functions of the software.
Menu item

Navigation
Expand/collapse. Show or hide the menu items.

A0055967

Dashboard. Create and manage user dashboards.
A0055968

Datasets. Create and manage datasets.
A0055969

A0055970

6Analyze Dataset. Analyze the active dataset. Only enabled when there is an active
dataset. This item contains five sub-tabs:
Endress+Hauser

Raman data library

Menu item

Brief Operating Instructions

Navigation
Data
PretreatPeaks/Regions
Views
 SummaryData Fields. Create and manage data fields.
A0055971

Spectral sources. Create and manage spectral sources (OPC/SPC).
A0055972

Projects. Create and manage projects.
A0055973

Users. Create and manage users.
A0055974

Settings. Manage system settings.
A0055975

Ribbon toolbar
The top of the Raman data library contains a ribbon toolbar. From the ribbon toolbar, youcan:•Select a project. The Selected Project list on the top menu bar allows you to switch
between projects. For information about projects, refer to Projects → .

•Change user (cGxP version only). Clicking this tool allows you to switch to a different
user while keeping the program running. To log out of the current user or session, exit
the software by clicking the X button in the top right corner.
For descriptions on changing users and passwords, see User management in the Raman
data library User Operating Instructions (BA02367C).

•Change password (cGxP version only). Clicking this tool allows you to change yourpassword.

•About. Clicking this tool displays the software version, version number, installation ID,and copyright information.

A0056151

Figure 2. Ribbon toolbar

For information about projects, refer to Projects in the Raman data library User OperatingInstructions (BA02367C). For descriptions on changing users and passwords, see Users andSecurity in the Raman data library User Operating Instructions.

Endress+Hauser7

Brief Operating Instructions

3

Raman data library

How to start

After you install Raman data library, you must bring data into the software. This chapter
outlines start-up tasks to get Raman data library ready for first-time use.

3.1

Importing Raman spectra and creating datasets

This section describes a quick-start approach to getting data into Raman data library. This isdone by creating a dataset and navigating to a folder of spectra.
Saving your first dataset can take a few minutes. Subsequent saves are faster.
To create a dataset
1. Select Datasetsfrom the menu.

The Existing Datasets page displays.
2. Click Create New Dataset.
3. Enter a name for the dataset.
4. In the Data Source list, select Imported Spectra.
5. Browse to the folder with spectra files, then click Select Folder.
When the import is complete, a folder and list of spectra appears. By default, all spectra
are selected. Shift, Ctrl, and Ctrl+A can be used to choose specific spectra.
6. Leave all spectra selected or select the desired spectra. Click Include.
Spectra included in the new dataset are shown under Included Spectra.
7. Check a box to include all spectra from the selection in Step 6 or include only a subset ofthe selection in which the software selects every second or third spectra.
8. Click Create.
When the dataset is complete, the Analyze Dataset screen displays.
9. Click Save Dataset.
A date and time appear after Last Saved.
10. Analyze and pretreat the data in the Analyze Dataset window. You can also resize plots
and sections to customize views, and mark Accumulations and Exposure Length asdisplayed in the Data Fields list.
11. Click Launch Dashboard to view the dashboard for your new dataset.
From the dashboard, you can add new dashboard tabs, copy dashboards, and modify
dashboards. Continue the Raman data library workflow by adding spectral sources,
analyzing data, applying pretreatments, and controlling your Raman analyzer. Refer toRaman data library User Operating Instructions (BA02367C) for instructions.

8Endress+Hauser

Raman data library

3.2

Brief Operating Instructions

Spectral sources

Spectral sources are sources of spectral data. A spectral source can be a watched input folder
containing spectroscopic files (.spc) or spectra transferred in real time through an OPC
connection to a Raman Rxn analyzer. In the cGxP version of Raman data library, the Spectral
Sources Manager role is required to add or make changes to Spectral sources.

A0055979

Figure 3. Spectral sources window

3.2.1

Adding an OPC spectral source

An OPC spectral source can be created to allow Raman data library to make an OPC unified
automation (UA) client connection to a Raman RunTime OPC server. The OPC connection
allows users to view, control, and collect spectra from Endress+Hauser Raman Rxn analyzer
systems. Multiple Raman analyzers (up to 4) can be connected to Raman data library.
A minimum of Raman RunTime v6.4 is required for an OPC connection between Raman datalibrary and Raman RunTime. Raman Rxn analyzers running Raman RunTime versions lower
than v6.4 can use an SPC spectral source as described in Adding an SPC spectral source →.
When an OPC spectral source is used, disable the device sleep feature in Windows settings.
To add an OPC spectral source
1. From the Spectral sources window, click Add New.
The Edit Spectral source pane displays.

Endress+Hauser

9Brief Operating Instructions

Raman data library

A0055980

Figure 4. Edit OPC spectral source

2. Enter a name for the spectral source.
3. Select OPC.
4. Enter the following connection settings information:••••••

Host Name. The host name or IP address of the Raman RunTime OPC server.
Username. The username used for creating the OPC connection to the Raman
RunTime OPC server. Default: "kaiser-opc".
Password. The password used for creating the OPC connection to the Raman
RunTime OPC server. Default: "opc".
Description. An optional description of the OPC spectral source.
Status. A status of the OPC spectral source, either Active or Inactive.
Service Notes. Service personnel or user comments about the OPC spectral source.
Click the Add button to add a new service note.

5. Click Test Connection to check the connection to the Raman RunTime OPC server. To
ensure a successful connection:•••

Perform a test connection before saving an OPC spectral source.
If using the host name of the analyzer does not result in a successful connection, tryusing the IP address. This may simply be due to host name resolution not configured
correctly on your local IT/OT network.
As an alternate to the default OPC credentials, you can also use credentials for oneof the user accounts configured on the Raman RunTime analyzer to authenticate theanalyzer OPC connection.

6. Click Save Changes.
If the connection is successful, a message displays and the Rxn Control toolbar appears on
the bottom ribbon, showing the assigned spectral source name and its status.

10Endress+Hauser

Raman data library

3.2.2

Brief Operating Instructions

Adding an SPC spectral source

The SPC spectral source feature automatically imports spectra from Raman Rxn analyzers
running Raman RunTime versions lower than v6.4. This enables the use of Raman datalibrary with Endress+Hauser's legacy Raman software solutions. Adding an SPC spectral
source allows Raman data library to automatically read and store .spc files within theRaman data library database and make them available for datasets.
The SPC spectral source requires an input path, in which Raman data library watches for
new files and imports them, and an output path, to which Raman data library moves theSPC files after they are imported.
Refer to SPC file network export in the Raman RunTime Operating Instructions (BA02180C)
for instructions on exporting .spc files from Raman RunTime.
To add an SPC spectral source
1. On the Raman data library computer, create .spc folder(s):••For Raman RunTime versions lower than v6.4, create one folder named Output
spectra.
For legacy software solutions, create two folders. Name one Input spectra, and theother Output spectra. Configure the legacy software to output .spc files to the Input
folder.

2. Click Spectral sources, then click Add New.

The Edit Spectral source pane displays.

A0055981

Figure 5. Edit SPC spectral source

3. Enter a name for the spectral source.
4. Select SPC.

Endress+Hauser

11Brief Operating Instructions

Raman data library

5. In Input Path:••

For Raman RunTime versions lower than v6.4, browse to the network shared folder
at the path \\computer name or IP address\DataLibraryBatchExport.
For legacy software solutions, point the Input path to the legacy software’s output
directory.

6. In Output Path, browse to the output spectra folder created in Step 1. This is thedirectory path used for outputting .spc files after they have been read into the system.
7. (Optional) Enter the following information:••

Description. A description of the SPC spectral source.
Service Notes. User comments about the SPC spectral source. Click the Add button
to add a new service note.

8. Click Save Changes and OK to the prompt.
In Raman RunTime versions lower than v6.4, the network shared DataLibraryBatchExport
folder contains subfolders and .spc files acquired on the Raman analyzer. Once the .spc files
have been read and added to Raman data library, the files are moved from this network
directory to the Output spectra folder created above. All .spc files are retained on the Raman
analyzer. The files are only moved out of the DataLibraryBatchExport folder.

12Endress+Hauser

www.addresses.endress.com