Extract English
Extract English
Extract English
Empower3
A Compact User Guide
DEAR READER,
Empower3 is a chromatographic data system (CDS), mainly
applied in pharmaceutical industries, in the area of life sciences
and biotechnology. Due to stringent regulatory and functional
requirements as demanded of the industry, most users will confirm a CDS not to be fully comprehended just along the way.
Missing knowledge of the software can be hindering at times for
one to fulfill their laboratory duties in a timely manner. Usually
CDS operators are happy to have found and be shown a suitable
way for using Empower in order to obtain the desired results.
Having established such a way, most will consequently adhere to
it, despite this not being the best possible way and Empower not
being used to its full potential.
For example, calculations are still being performed in Excel due
to the lack of knowledge about Empowers ability to perform
the desired calculation. Or there may be uncertainties of understanding Empowers method of calculation. Without the necessary understanding and familiarity, changes to ones proven and
established routine can result in a lenghty challenge in order to
make these changes. During day-to-day laboratory routine, its
often impossible to find the time for gaining a deeper understanding of the software and its full scope of functionality.
The attendance of training courses, if available, can be regarded
as a starting point or a small stepping stone in acquiring software knowledge. A deeper and lasting understanding can only
be achieved with lots of practical and daily laboratory routine.
This manual is intended to support you in mastering the use of
Empower in a simplified and easy to understandable way. As a
compact manual its not the intention to create a mirror image of
the Empower Online-Help but to provide a user-friendly leitmotif
thereby focusing on the essentials.
Aspects to be considered as relevant and important will be
discussed in more detail throughout this book. At various passages, references are made to the producers documentation (i.e.
Waters), thus avoiding an information overload and keeping the
manual as compact as possible. By doing so, this manual serves
as a solid help for new Empower users to get started and as a
reference for those users already experienced in the routine use
of the CDS software.
Should you have any suggestions or just like to give feedback regarding this manual, we look forward hearing from you.
Thereby making a valuable contribution in improving and developing this manual further.
Sincerely yours,
Arno Simon and Ingo Green
Any suggestions or feedback can be forwarded to the following
e-mail address:
empower.manual@beyontics.com
AT A GL ANCE
1 Editions and Network Architecture 15
2 Quickstart-Interface 19
3 Project Window 32
4 Data Acquistion 56
5 Data Processing 98
6 Reports 222
7 Data Import and Export 278
8 Configuration Manager 294
9 Custom Fields 356
CONTENT
Introduction14
Editions and Network Architecture
15
Quickstart-Interface
19
Project Window
32
Logon Procedure 32
Empower Online Help 33
Help - Contents 33
Help - Search 33
Overview of Empower Structure 33
Opening Projects 34
Project Structure 34
Project Names 35
Project Selection 35
Structure of Project Window 35
Project Window Title Bar 36
Tables within the Project Window 36
Project Window Menu Bar 39
Review 40
Compare 40
Preview/Publisher 40
Process 40
Print 40
Export 41
Alter Sample 41
Process Only Sample Set 41
Run Sample 41
View Filter 42
Application Preface 42
Adjusting Table Columns 42
Deleting Table Columns 44
Adding a Table Column 45
Saving a View Filter 45
Filtering Table Entries 46
Creating a Static Filter 47
Data Acquistion
56
Loading a Sample Set Method 91
Saving a Sample Set as Template 92
Starting a Sample Set 92
Aborting a Running Sample Set 93
Data Processing
98
Limits 162
Noise and Drift 162
Automated Calibration and Quantification 164
Reports
222
10
Creating Reports from Sample Sets Automatically 229
Editing Existing Repor t Methods 229
Selecting Results and Starting the Preview/Publisher 229
Report Method Properties 230
Illustrating Chromatograms 234
Designing Repor t Methods 251
Individual Reports 251
General Advices 255
Grouping 256
Composite Groups 256
Sorting Order 257
278
11
Toolkit Applications 289
Migration of Spectral Libraries 290
Copying of Spectra from the Source Instance 290
Importing Data to the Target Instance 290
Configuration Manager
294
Custom Fields
356
Introduction 356
Data Types 359
Field Types 359
Sample Field 360
Sample Set Field as Enum 362
Result Field 365
Component Field 369
12
Peak Field 373
Interpeak Calculations 377
Calculated Enum Field 380
Intersample Calculation 382
Index386
13
INTRODUC TION
This Empower manual is an accurate english translation of the
German-language edition from the year 2015. It explains and
describes the functions and operations based on Empower Build
3471 Feature Release 2 containing the options PDA and System
Suitability. As no fundamental changes have occurred since
then, the manual is still valid and suitable for those working
with earlier versions of Empower. Added functions which are
specific to Empower3 are recognizable by the Empower3 logo at
the page margins throughout this book.
To preserve the compact character of this manual, any illustrations regarding Mass-Spectrometry (MS), Dissolution, Capillary
Electrophoresis (CE) and Size Exclusion Chromatography (SEC) as
well as special topics on Gas Chromatography (GC) have not been
included for this purpose.
For the same reason, no illustrations of instrument methods for
operating various instrument types or a selection of controllable instruments has been included. The multitude of options for
operating / controlling instruments from different vendors has
reached an extent which cannot be covered in a compact manual
like this. Thus, running the risk of being out of date very quickly.
Furthermore, sufficient information is provided by the various
vendors themselves and any further re-description in this manual not being required.
Excursion
14
to hold the respective user-rights. During day-to-day laboratory business, it can happen that certain functions cannot be
selected or performed, depending on the assigned or selected
User Type. Especially deletion and administrative tasks are not
accessible for the regular user.
Topics and comments of a certain importance or which provide
complementary information are included in appropriate text
boxes found inside the page margins or, depending on the volume, within a page-sized frame complementing the respective
chapter. Depending on the category (topic or comment) the text
box will contain either an exclamation mark or an information
symbol.
15
Project Window
36
Injections
Injections are the acquired chromatographic raw data together
with all chromatograms (Channels ). One injection can consist
of at least one or several Channels . If more than one detector is
used during an acquisition, each data signal is stored as a single
Channel related to the respective Injection . By double-clicking on
a row, the view switches to the Channels table and displays all
Channels associated to this Injection .
Channels
A Channel is the most in-depth level of information of the
acquired data, i.e. a single chromatogram that has been generated inside a detector and stored electronically. For other signals, such as pressure or temperature curves, separate Channels
are created.
Methods
Here, various types of Methods within a project will be displayed.
Method Description
Instrument Method
Processing Method
Evaluation method
Report Method
Export Method
Method Set
37
Project Window
Result Sets
Where a Sample Set is processed automatically, a Result Set is
generated. A Result Set consists of several single Results that
derive from the same Sample Set . By double-clicking on a row,
the view switches to the table Results , where all single Results
are displayed, that belong to the selected Result Set .
Results
Results are the calculated output of a single Channel.
Peaks
Here, a list of all components within a project, for whom a calculation was performed, can be found. Displaying even unknown
and missing components.
Fractions
A Fraction is a section of a chromatogram that results from a
cut detector signal. After detection, chromatographically separated compounds from the initial sample solution are collected
by Fractions in different vials. These Fractions represent the
chromatogram sections. Fractions are always associated to an
Injection , thus to a Sample Set .
Sign Of fs
Here, electronic signatures can be displayed.
Curves
Here, all calibration Curves of a project are listed within a table.
A single row in this table represents a determined calibration
Curve of a compound.
View Filters
This table contains all View Filters (database filter) within the
project. Using View Filters , the required content, to be displayed
in a table, can be diminished selectively.
38
Audit Trails
By activating the option Full Audit Trail Support , all changes in a
project will be recorded during the creation of a project. Here,
date, time, user, action and reason for change (if required) are
monitored. The Audit Trail information are listed in the Audit
Trail table.
Single objects in a project are described by an identification number. This means a clear
identification is not given by the name of an object, but by the objects ID. E.g. sample sets
with the same name can be created, but they get a different sample set ID. Therefore, when
reporting results it makes sense to always use the respective object IDs. By this, a traceability is
given for all your data and calculations. IDs are assigned consecutively and are therefore unique
within a project . For this reason, it makes sense to describe the project, where the results have
been processed, in order to provide traceability and transparency to your data. Empower projects
themselves do not get an ID. They can only be described clearly by the full project path, if projects
are never moved in the tree.
39
Data Acquistion
4. DATA ACQUISTION
Connecting to a chromatographic system for instrument control
and data acquisition via Empower you need to open the Run
Samples window.
Run Samples can be launched from the Project window using the button
Should you intend starting data acquisition immediately after login, you can do so by going directly
into the Empower Start window and subsequently clicking on the Run Samples button. Having done
so, you will be prompted, to select not only a chromatographic system but also an Empower project,
where the measured data can be stored.
56
Running .
57
Data Acquistion
Single and Samples
Via the tab Single , a single sample can be analyzed. This function
is especially suited for the interactive method creation.
Selecting the tab Samples , a sample table will be provided for
measuring a series of samples as well as a Sample Set .
Sample Sets
The Sample Set table shows the Sample Set Queue . If multiple Sample Sets are to be analyzed after each other, then a list
of those sample sets will be displayed in the right processing
order. The currently running Sample Set becomes red, subsequent
Sample Sets will be displayed in black.
Running
Under the tab named Running you will see a list of injections of
a currently running Sample Set . All the measured samples as well
as the currently running sample are displayed in red characters.
The remaining samples of the run to be measured are displayed
in black. In the Running table, you can alter a currently running Sample Set by a right-click with your mouse, selecting Alter
Running .
4. 1. 2Online- Plot
In the Run Samples window, on the right-hand side, appears the
plot of the real-time chromatogram. With your mouse, sections
of the chromatogram can be changed for viewing the chromatogram in more detail (e.g. zoom-in on baseline) whilst a sample
set is running.
58
With Empower3 , currently plenty of third party instruments can be controlled, i.e. instruments, where Waters is not the vendor. These instruments are connected to Empower by an own instrument
driver, comparable to printer drivers used by an operating system on your computer. Such a driver
software is developed by the respective instrument vendor, without having any unique guidelines of
how to create such a driver software for Empower. Thus, the composition of instrument methods and
control panels in Run Samples leans on the specific vendor software, for functionality and layout no
unique standard exists.
Because of the high number of currently available instrument drivers and the continuous enhancements for these products a description of drivers that are present on the market when publishing
this manual is neglected. We rather like to refer to the specific vendor documentation that is released for every driver and where functionality and operation should be described sufficiently.
59
Data Processing
5. 5. 4Purity
The Empower function for performing peak purity evaluations is
described in section Peak Purity Control on page 211 in detail.
5. 5. 6Components
On the third tab of the Processing Method all information and
definitions are entered for known components. Peak names are
assigned, peak identification criteria are set and calibration settings defined.
136
Selecting Replace or Average the Unknowns are taken into consideration as well. Here for each
channel, that is processed, a new Calibration ID and a new Cal Curve ID are generated, as for each
retention time update for the calibration curve a new curve is created. However, selecting Replace
Stds or Average Stds IDs are kept for the whole Result Set .
Description
Defines the type of averaging standard injections for creating a calibration curve.
None
Update RT (Never, Replace, Replace
Stds, Average, Average Stds):
Amount
Level
RT Windows (%)
CCalRef 1
Offers the possibility to name unknown peaks by the relative retention time. For assigning peak names to unknown
peaks in this way only a reference component needs to be
selected here.
137
Data Processing
Assigning Names to Unkown Peaks
In Empower2 , unknown peaks have been listed in the peak table,
but never assigned with a name.
In contrast, Empower3 offers now a function to automatically
assign a name. This name includes the relative retention time
(RRT) of one peak, which can be defined by a reference peak.
As an extension
beyontics offers the
PeakProvider . With
this program, that can
be implemented into
Empower , a special
algorithm calculates
mean values for the
RRT by which peak
names are described. By this the same
components will get
the same peak name
throughout a whole
138
139
Data Processing
Field Name
Component
Table
Description
Name
Description of the component, name needs to be unique. Spelling must correspond to the entry performed for standard weighings in the Component Editor
( Amounts ).
Component
Type
Category of the component. This field is applies for calculations performed with
the Method Validation Manager and Impurity Processing. More details can be
found in the respective chapter. Selections are defined by Default Strings.
Peak Label
Retention
Time (min)
Time point after start of the injections in minutes, where the detection of a peak
is expected. Table is sorted by Retention Time. Identical time values can only be
defined, if components are detected in different Channels .
RT Window
(min)
Retention Time .
Channel
If more than one peak is detected within a retention window, this field is used
Y Value
Definition how Empower should calculate the Peak Response Value that is used
for calibration and quantification. One can select between Area , Height , % Area ,
% Height and any Peak Custom Field . Having selected None neither a calibration
nor a quantification takes place for the respective component, but only an identification.
140
Data Processing
5. 5. 7Impurity
Empower3 FR2 offers a new function for automated impurity calculations. For defining the calculations the new Impurity tab is
used in the Processing Method .
2
4
6
144
145
Custom Fields
INDEX
Ascend/Hide 44
Atlas 280
Calibration ID 137
Autofill 85
CCompRef1 139
3D-data 314
CCompRefx 143
Symbols
166
Autoscale 242
Channel 37 , 140
Average 136
ChemStation 280
Abort 93
Abort after Injection is completed
93
Abort after Vial is completed 93
Aborting a Single Injection 70
Abort Now! 93
Abort Options 93
Abort run and continue on next
line 93
Acquisition Client 340
Adjusted Total Area 146 , 147
AIA 41 , 279
386
B
Background Processing 286
Background Processing and
Reporting 228
Backup 281
Backup Project Wizard 316
Backup to current project directory 317
Baseline Drift 157
Baseline End Time 155 , 157
Baseline Monitoring 93
Baseline Noise 156 , 157 , 160
Baseline Start Time 155 , 156
Blank 161
Bool 359
Browse Project 34
Components 136
Calculated 366
Calculate USP, EP and JP s/n 161
Cal Curve ID 137
Calibrate 83 , 135 , 169 , 179
Field Types
Configure DHCP 343
DHCP 344
Dilution Factor 41
Contents 33
125
Force Baseline by Time 130
Force Drop Line 125 , 130
Control Panel 22
Drag&Drop 280
Copy&Paste 279
Driver Software 58
126
Fractions 38
Email 301
EMF 41
Function 69
Data Acquistion 56
Database 32 , 33 , 287
Enterprise Edition 18
Enum 359
EP s/n 162
Group By 267
Equilibrate 84
Ethernet 343
229
Default Pk 142
Default Pk End (min) 142
Default Pk Start (min) 142
Export 40 , 41
Export ASCII File 282
Exporting data 278
Export Method 37 , 281
Export to Text 288
External 360
F
Field Name 244
Descend 44
Descend/Hide 44
91
387