Metrohm MIRA Cal DS Operation instructions

MIRA Cal DS
MIRA Cal DS
Tutorial
8.105.8069EN / 2021-09-15

Metrohm Raman
407 South 2nd Street
Laramie, WY 82070
USA
[phone]
[email protected]
www.metrohm.com
MIRA Cal DS
MIRA Cal DS
1.2.50
Tutorial
8.105.8069EN /
2021-09-15

Technical Communication
Metrohm Raman
Laramie, WY 82070
This documentation has been prepared with great care. However, errors
can never be entirely ruled out. Please send comments regarding possible
errors to the address above.
Copyright
This documentation is protected by copyright. All rights reserved.
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All other trademarks are the property of their respective owners.

￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭ Table of contents
MIRA Cal DS
￭￭￭￭￭￭￭￭ III
Table of contents
1 Overview 1
1.1 Product description .............................................................. 1
1.2 Product versions ................................................................... 2
1.3 Symbols and conventions .................................................... 2
1.4 Additional information – Device manuals .......................... 2
2 Safety 3
2.1 Intended use ......................................................................... 3
2.2 Responsibility of the operator ............................................. 3
2.3 Personnel requirement ......................................................... 4
2.4 Safety instructions ................................................................ 4
2.4.1 Danger from electrical potential ............................................... 4
2.4.2 Danger from radiation ............................................................. 5
2.5 Design of warning messages ............................................... 5
2.6 Meaning of warning signs ................................................... 6
3 Functional description 8
3.1 General overview .................................................................. 8
3.2 Operating procedures ........................................................... 8
3.3 Drop down menus ................................................................ 9
3.4 Function tabs and feature views ....................................... 15
3.5 Identification of samples with libraries ............................ 18
4 Installation 20
4.1 System requirements .......................................................... 20
4.2 Install MIRA Cal DS ............................................................. 21
5 Initial start-up 30
5.1 Start MIRA Cal DS ............................................................... 30
5.2 Establish a connection between MIRA XTR DS / MIRA
DS and MIRA Cal DS ........................................................... 30
5.3 Configuration ...................................................................... 33
5.3.1 Create and edit libraries ......................................................... 33
5.3.2 Create and edit operating procedures .................................... 35
5.4 Calibration and system suitability ..................................... 40

Table of contents ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
IV ￭￭￭￭￭￭￭￭
MIRA Cal DS
6 Operation and control 41
6.1 Data acquisition with MIRA XTR DS / MIRA DS .............. 41
6.2 Displaying and managing data .......................................... 43
6.2.1 Viewing a spectrum ............................................................... 43
6.2.2 Sample list folder management .............................................. 43
6.3 Processing a spectrum ....................................................... 44
6.4 Generate reports ................................................................. 46
6.5 Export .................................................................................. 49
6.6 Database backup ................................................................ 51
6.7 Managing ............................................................................ 52
6.7.1 Managing users ..................................................................... 52
7 Create support log file 54

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1 Overview
1.1 Product description
MIRA Cal DS software is used together with the Metrohm Instant Raman
Analyzers MIRA XTR DS / MIRA DS.
MIRA Cal DS software
￭Administration
– For example users, operating procedures
￭View results
￭Generate reports
￭Store all data
MIRA XTR DS / MIRA DS instruments
￭Analyze samples
Synchronization between MIRA XTR DS / MIRA DS instru-
ments and MIRA Cal DS software
With the help of a synchronization workflow, all needed data is synchron-
ized between MIRA Cal DS software and MIRA XTR DS / MIRA DS instru-
ments.
Synchronizing MIRA XTR DS / MIRA DS instruments to MIRA Cal DS soft-
ware ensures that the instrument is up to date. The current versions of
active operating procedures, libraries and user accounts are transferred to
the instrument. Samples are saved to the database.
More than 1 instrument can be used. They can be synchronized to the
same database in order to achieve a clean data management.
Evaluation
In MIRA Cal DS software, an evaluation option is available:
￭Identification of samples:
The measured spectrum of a substance is compared with existing spec-
tra in a library. Results for both library identification and mixture match-
ing can be obtained.

Product versions ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
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1.2 Product versions
The product is available in the following version:
Order number Designation Version feature
6.06071.020 MIRA Cal DS Version 1.2.50
1.3 Symbols and conventions
The following formatting may appear in the documentation:
Cross-reference to figure legend
The first number refers to the figure number. The
second number refers to the product part in the fig-
ure.
Instruction step
Numbers indicate the order of the instructions steps.
Method Names of parameters, menu items, tabs and dialog
windows
File ▶ New Menu path
[Continue] Button or key
1.4 Additional information – Device manuals
Refer to the following manuals for information about the instruments:
￭Manual MIRA DS: 8.926.8001EN
￭Manual MIRA XTR DS: 8.0926.8005EN
Insert the product number into the search field on
https://www.metrohm.com to find the manuals.

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2 Safety
2.1 Intended use
Metrohm products are used for the analysis and handling of chemicals
and other materials.
Usage therefore requires the user to have basic knowledge and experience
in handling chemicals. Knowledge with respect to the application of the
fire prevention measures prescribed for laboratories is also mandatory. Be
sure to take proper safety precautions when working with chemicals
Adherence to this technical documentation and compliance with the
maintenance specifications make up an important part of intended use.
Any utilization in excess of or deviating from the intended use is regarded
as misuse.
Specifications regarding the operating values and limit values of individual
products are contained in the "Technical specifications" section, if relevant.
Exceeding and/or not observing the mentioned limit values puts people
and components at risk. The manufacturer assumes no liability for damage
due to non-observance of these limit values.
The EU declaration of conformity loses its validity if modifications are car-
ried out on the instruments and/or the components.
2.2 Responsibility of the operator
The operator must ensure that basic regulations on occupational safety
and accident prevention in chemical laboratories are observed. The opera-
tor has the following responsibilities:
￭Instruct personnel in the safe handling of the product.
￭Train personnel in the use of the product according to the user docu-
mentation (e.g. install, operate, clean, eliminate faults).
￭Train staff on basic occupational safety and accident prevention regula-
tions.
￭Provide personal protective equipment (e.g. protective glasses, gloves).
￭Provide suitable tools and equipment to carry out the work safely.
The product may be used only when it is in perfect condition. The follow-
ing measures are required to ensure the safe operation of the product:
￭Check the condition of the product before use.
￭Remedy defects and malfunctions immediately.
￭Maintain and clean the product regularly.

Personnel requirement ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
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2.3 Personnel requirement
Only qualified personnel may operate this product. A qualified person is a
user who has thoroughly reviewed this document and has a comprehen-
sive understanding of the operations of the instrument.
The instrument is used for the analysis of chemical compounds, some of
which may be hazardous. The user must be capable of recognizing and
avoiding possible dangers, and be aware of standards, laws and regula-
tions governing the handling of such chemicals.
2.4 Safety instructions
2.4.1 Danger from electrical potential
WARNING
Electric shock from electrical potential
A considerable danger of injury exists in connection with touching
live parts.
￭Never open the housing of the instrument when the power cord is
connected. You can not service or replace any parts inside the
housing.
￭Only personnel who have been issued Metrohm qualification may
perform service and repair work on electric and electronic parts.
￭The electrical safety of the instrument is ensured as part of the
international standard IEC 61010.

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2.4.2 Danger from radiation
WARNING
Eye injury by laser radiation
Laser radiation can cause serious eye injuries.
￭Follow the safety measures and instructions.
￭Instruments must be used by trained personnel only.
￭Instruments of the laser class 3B must be used in protected and
labeled rooms only.
￭When working with open laser beams (Smart Tips of the laser
class 3B) appropriate protective glasses must be used, see chapter
"Operating specifications" in the MIRA device manuals.
￭Observe the nominal ocular hazard distance (NOHD).
￭Follow the provisions of the IEC 60825-1 standard "Safety of laser
products" and the regulations for the use of laser systems in your
country.
2.5 Design of warning messages
There are 4 hazard levels for warning messages. The following signal
words are used for classifying the hazard levels in warning messages:
￭DANGER indicates a hazardous situation which, if not avoided, will
result in serious injury or death.
￭WARNING indicates a hazardous situation which, if not avoided,
could result in serious injury or death.
￭CAUTION indicates a hazardous situation which, if not avoided, could
result in minor or moderate injury.
￭NOTICE indicates a hazardous situation which, if not avoided, could
result in property damage.
Warning messages differ in design (color and warning sign) depending on
the hazard level:
DANGER
Type and source of danger
Consequences when not observing the notice: An irreversible injury
that may result in death is very probable.
￭Measures to avoid the danger

Meaning of warning signs ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
6￭￭￭￭￭￭￭￭
WARNING
Type or source of danger
Consequences when not observing the notice: A serious injury that
may result in death is probable.
￭Measures to avoid the danger
CAUTION
Type or source of danger
Consequences when not observing the notice: A minor to moderate
injury is probable.
￭Measures to avoid the danger
2.6 Meaning of warning signs
This documentation uses the following warning signs:
Table 1 Warning sign according to ISO 7010
Warning sign Meaning
General warning sign
Warning of electrical voltage
Warning of hand injuries
Warning of sharp object
Warning of hot surface
Warning of biological hazard
Warning of toxic materials

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Warning sign Meaning
Warning of flammable materials
Warning of corrosive substances
Warning of optical radiation
Warning of laser beams
Depending on the intended use of the product, the corresponding warn-
ing sign stickers must be placed on the product.

General overview ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
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3 Functional description
3.1 General overview
Figure 1 MIRA Cal DS – General overview
1Logged in user 2Sample browser
3Sample viewer
with sample lists
4Function tabs
Sample view
Library view
Operating procedure view
5Ribbon 6Menu bar
3.2 Operating procedures
All parameters affecting the acquisition and evaluation of spectra are
defined in operating procedures. This ensures that measurement is done in
a reproducible and well defined way.
MIRA XTR DS / MIRA DS has a Smart Acquire feature which automati-
cally optimizes the acquisition parameters for a sample.
Users can also build operating procedures by using parameters that the
user selects, either in the MIRA Cal DS software or on the MIRA XTR DS /
MIRA DS instrument. Operating procedures can be shared between MIRA
XTR DS / MIRA DS instruments.

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3.3 Drop down menus
File
Open ▶
Samples Imports samples.
Libraries Imports libraries.
Operating Proce-
dures Imports operating procedures.
Save As ▶
Samples Saves samples to selected location.
Libraries Saves libraries to selected location.
Operating Proce-
dures Saves operating procedures to selected location.
Settings Opens a view with two tabs:
￭General (see "General tab", page 11)
￭Reports (see "Reports tab", page 13)
Advanced ▶
Database ￭Info
Lists database information.
￭Help
￭Back Up
Backs up the database.
￭Restore
Restores the database.
￭Set Location
Sets the location of the database.
￭Import Licensed Libraries
Imports licensed libraries
￭Import MIRA Cal M Database
Imports the database from MIRA Cal M.
￭Reset
Removes all items from the database, including operating procedures, sam-
ples and libraries.
Change Lan-
guage Changes the language of the application.

Drop down menus ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
10 ￭￭￭￭￭￭￭￭
Manage
Advanced Users
Changes the user password, manages and reviews users (only visible if [Require
Advanced Login] is checked in Settings).
Service Portal Allows access for service engineer.
Exit Closes MIRA Cal DS.
Instrument
Connect Connects MIRA XTR DS / MIRA DS to MIRA Cal DS.
Disconnect Disconnects MIRA XTR DS / MIRA DS from MIRA Cal DS.
PIN codes The user can add PIN codes. Double click a PIN code entry to delete, enable or
disable a PIN code.
The default PIN code is 1234. It cannot be edited or deleted.
Bluetooth PIN code Is displayed only when the MIRA XTR DS / MIRA DS instrument is connected to
MIRA Cal DS.
Change the PIN code for the Bluetooth® wireless connection with MIRA Cal M.
The default PIN code is 9999.
System Suitability
Test Archive Lists all system suitability tests in the database.
Info Lists identification information of the instrument and the operating system.
Rename Is displayed only when the MIRA XTR DS / MIRA DS instrument is connected to
MIRA Cal DS.
The user can change the name of MIRA XTR DS / MIRA DS.
Full Sample Down-
load Downloads all samples stored on MIRA XTR DS / MIRA DS.
Execute Script Allows the user to execute service scripts for minor adjustments to MIRA XTR
DS / MIRA DS.
Calibrate Instrument The user will be prompted throughout the calibration routine. System suitability
test can be run immediately following calibration.
System Suitability
Test
The test can be run independently of the calibration routine. Follow the
prompts.
Prompts the user through the system suitability test routine. Runs system suita-
bility test independently of calibration routine.
Updates ▶

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Upload Lan-
guage Package Updates languages for the application.
Upload Certifi-
cate Package Updates licensed libraries.
Advanced Is displayed only when MIRA XTR DS / MIRA DS is connected to MIRA Cal DS.
￭Upload Encrypted Library
Uploads an encrypted library.
￭Upload Library Access File
Uploads a library access file.
￭Upload S.T. Japan
Uploads an S.T. Japan library.
Help
About Displays the MIRA Cal DS version and copyright.
Create Support File Generates a support file for the desktop software and MIRA XTR DS / MIRA DS.
The user will be asked to attach the Calibration Standard and select [Okay]. A
support file is generated and the user is prompted to save the file. The support
file can be sent to Metrohm Raman should there be issues with the device or
desktop software.
Home
Click on and the user is returned to the home screen.
Connected
Displays when MIRA XTR DS / MIRA DS is connected to MIRA Cal DS.
General tab
File ▶ Settings

Drop down menus ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
12 ￭￭￭￭￭￭￭￭
Figure 2 Settings - General tab
In the General tab you can set the following:
General tab
Dark Theme Sets the software background to the color black.
Local Time Format Sets the time to the local computer format.
Automatic Acquisi-
tion Organization
Automatically creates a folder with the serial number of MIRA XTR DS / MIRA DS
and with the time and date when acquisitions are performed by MIRA Cal DS.
Require Advanced
Login
Requires the user to login to use the advanced features of the software (see
"Managing users", page 52).
￭Check Require Advanced Login.
￭Change the password for the default advanced user by entering a password
and click [Change].
￭Add a new user by entering the user name and password and click [Save].
￭Delete users by selecting the user from the Delete Users window and click
[Delete].
￭Click [Close].
￭Go to the Home ribbon and select [Save].
Disable XTR Features Hides XTR features in the software.
Notify Old Calibra-
tions
Gives a pop up reminder if the time since the last calibration is longer than the
set time period.
Synchronization Set-
tings ▶

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Save Sample
Summary On
Sync Saves sample summary after synchronization.
Save System
Suitability Test
On Sync Saves system suitability test after synchronization.
Auto Synchron-
ize
Automatically synchronizes to the device and/or database after a modification of
operating procedure, library or other device modification.
The synchronization of user operating procedures, licensed libraries and user
libraies can be checked separately.
SmartSync A custom folder can be set for device synchronization. The custom folder can be
defined by: Day, Device Name, Serial Number, Sync Time, Hazard Level, PIN
code, or Operating Procedure.
Data Retention ▶
Retain All Data Retains all data in the database.
If deactivated, the time period of expiration of the data, the data clearing fre-
quency and settings for the database backup can be chosen.
Chart Settings ▶
Y Grid Lines Displays Y grid lines in the sample chart.
X Grid Lines Displays X grid lines in the sample chart.
Invert X Axis Inverts X axis in the sample chart.
Chart Line
Thickness Defines chart line thickness.
Default Sample Col-
umns Defines the sample columns displayed in the Sample view.
Reports tab
File ▶ Settings

Drop down menus ￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭￭
14 ￭￭￭￭￭￭￭￭
Figure 3 Settings - Reports tab
In the Reports tab you can set the following:
Reports tab
Sample Summary
Report Settings
The selected settings define the content of the Sample Summary report.
Click on View Example to view, save or print the report.
To add a personalized logo to the report, click on Add Logo in the Reports
section of the Home tab.
Full Sample Report
Settings
The selected settings define the content of the Full Sample report.
Click on View Example to view, save or print the report.
To add a personalized logo to the report, click on Add Logo in the Reports
section of the Home tab.
Quick Match Report
Settings The selected settings define the display of the Quick Match report.