Arno Simon, Ingo Green Empower3 A Compact User GuideDEAR READER, EmpowerS is a chromatographic data system (CDS), mainly applied In pharmaceutical Industries, In the area of life sciences and blotechnology. Due to stringent regulatory and functional requirements as demanded of the industry, most users will con- firm 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 under- standing Empowers method of calculation. Without the neces- sary understanding and familiarity, changes to one’s proven and established routine can result in a lenghty challenge In order to make these changes. During day-to-day laboratory routine, it's often impossible to find the time for gaining a deeper under- standing 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 soft- ware 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 It’s not the Intention to create a mirror Image of the Empower Ontine-Help but to provide a user-friendly leitmotit thereby focusing on the essentials.Aspects to be considered as relevant and Important will be discussed In more detail throughout this book. At various pas- sages, references are made to the producer's 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 asa reference for those users already experienced in the routine use of the CDS software. Should you have any suggestions or just like to give feed- back regarding this manual, we look forward hearing from you. Thereby making a valuable contribution in improving and devel- oping 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 GLANCE 1 Editions and Network Architecture . 2 Quickstart-Interface 0.0.2... eee 19 3 Project Window 4 Data Acquistion ... . 56 5 Data Processing -.....cccscccssssveseeeseseeeseseseesesese 98 6 Reports . we 222 7 Data Import and Export........ 278 8 Configuration Manager 294 9 Custom Fields .. . 356CONTENT Editi . Empower Personal Edition 18 Empower Workgroup and Enterprise Edition .. 18 Citrix Terminal Server .... 19 Accessing the Quickstart-Interface 22 Overview of the QuickStart-Interface 23 Run Samples .. 24 Browse Project 27 View Data 28 View Method .. 29 Show Me... 29 Proj 7 Logon Procedure. 32 Empower Online Help . 33 Help - Contents 33 Help - Search .. . 33 Overview of Empower Structure 33 Opening Projects 34 Project Structure 34 35 35 Project Names Project Selection 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 4 Process ... 40 Print 40 Export 41Alter SAMPLE wns nl Process Only Sample Set 44 Run Sample os oh View Filter 42 Application Preface oA Adjusting Table Columns. 42 Deleting Table COWMNS ose on Adding a Table Column 45 Saving a View Filter. a) Filtering Table Entries. os on Creating a Static Fitter. 47 Data Acquistion | 8 Run Samples Window - 57 Overview of the Run Samples Window 37 Ontine-Plot 58 Most important Instrument Method Setting. 159 Instrument Method .. os eonseisentsnnnnnnesntsnnsennes 60 Saving of a Method 61 Method Properties. 62 Method Set 63 Method Set Wizard .. Instrument Method Editor 264 65 Baseline Monitor 67 Single Injection. . 68 Setup and Start of a Single Injection... 8 Aborting a Single Injection 70 Sample Sets ... 70 Manual Setup of a Sample Set .... 170 New Sample Set WIZard sens soon TA Formatting a Sample Table 80 Sample Sets with Bracketing .. sve B2 Excursion: Function RF Internal Standard In Empowetcnn 84 Editing a Sample Set os soseinntnnnnnnennnnsnnnes 85 Autofill 85 Alter Sample . + 86 Process-Only Sample Sets .. 86 Creating a Process-Only Sample Set .. soe 87 Sample Set Methods 4Loading a Sample Set Method 91 Saving a Sample Set as Template 92 Starting a Sample Set .. 92 Aborting @ Running Sample Set 93 Data Processing SS CCC‘“‘(CCC The Review Window... ssn 98 Adjusting the Review Window View 100 The Toolbar of the Review- WiNdOW snus 100 The Five Main Views of the Review Window. 104 Result Audit Viewer 103 Further Review Navigation Options. 104 Overlay 104 Integration Parameters sosnnnnntnnsnne - att Creating a Processing Method 112 Defining a Processing Method Type. 413 Defining an Integration Section . wo 14 Setting of Peak Recognition Parameters ... Ad Defining Peak Exclusion Values 115 Calibration Parameters 116 Creating a Component Table 118 119 Entering Default Amounts ... Defining an Internal Standard 119 Input of System Suitability Criteria 120 Saving a Processing Method 020 Integration Method Parameters. sna so 424 Integration 122 Traditional Integration . 123 Apextrack 126 Purity. ABS PDA Library Search 136 Components 136 Impurity, 144 Peak Ratios (MS Ion Ratios)... ASA Default Amounts/Purity 152 Named Groups .. 155 Timed Groups ... wo 4 Suitability .. ASS Excursion: Noise and Drift Values . 156Limits . Noise and Drift, os Automated Calibration and Quantification Excurion:Useful Presettings in Review Manual Calibration and Quantification... Creating a Calibration .. Calculation of Standards nnn Results Windows 170 Excursion: Response, RF, Relative Response, Response Factor - What does it mean? Calibration Curve 174 The Calibration Curve 174 Excursion: Internal Standard In EMPOWET.sessesseeseenseeneeee 177 Saving a Calibration Quantifying a Sample. Saving a Result Processing via Channels in the Method Set Excursion: Subtraction of a 2D Blank Value 3D Evaluation 3D Data In the Review Window 3D Plot . Editing Viewing Options... Contour Plot Chromatograms / Spectra Method Set - Save Extracted Channels ... PDA Processing Method ... Spectral Library. Adjusting @ PDA Processing Method ... Report Publ Most Relevant Terms... Report Method Report Publisher Report Publisher (Preview) REPOrt GFOUP ee Presenting Individual Results ... Loading a different Report Method. Automated Printing of Selected Results herCreating Reports from Sample Sets Automatically. 229 Editing Existing Report Methods ..socnennen 229 Selecting Results and Starting the Preview/Publisher.... 229 Report Method Properties 230 Itustrating Chromatograms.. 234 Designing Report Methods 254 Individual Reports 254 General Advices 255 Grouping a 256 Composite Groups .... 256 Sorting Order. 257 Excursion: Scalability of Chromatograms in Locked Report Methods vessseesseesneenseenserneerneennernneenserneesntennereneerseeneeensees 260 Peak Table sos nnn ntnnsnnnnnnnnnnnnn vseneee 264 Creating Tables 261 Modifying Table Properties. 261 Statistical Functions in Report Tables 262 Summary Report .. 268 Excursion: Sorting and Grouping Options for the Design of Separate Peak Tables - 269 Printing Reports 274 Saving Reports as PDF sosennennenntnnnnne sevseneee 27 Global Default Settings 272 Data Import and Export _______278 Importing Data wns 278 Restore Function 278 Import Function... 279 Copy &Paste. 279 Drag&Drop 280 Waters Data Converter 280 280 281 Importing Plate Types. Exporting Data. Backup Function... 284 Export Method 281 Export to Text 288 289 Copy & Past 289 Archiving of Projects...Toolkit Applications 10289 Migration of Spectral Libraries.. 290 Copying of Spectra from the Source Instance .. 290 Importing Data to the Target Instance 290 Starting the Configuration Manager ssn 1294 System Policies 295 Empower Message Center... 302 Default Strings Copy Preferences Projects Projects in Empower CFEATION socsssnnnnn Maintaining Projects Data Backup Locking and Unlocking of Project: Cloning of Projects Global Projects View. User Management User Groups User Types User Systems und Nodes Creating of Empower Nodes Setting up a new System .. so Changing the Configuration of Chromatographic Systems 348 Online and Offline State of Chromatographic Systems Libraries ... . System Audit Trail .. Introduction.. Data Types Field Types Sample Field. Sample Set Field as Enum. Result Field .. Component FieldPeak Field os 373 Interpeak Calculations .. 377 Calculated Enum Field ... 380 Intersample Calculation 382 Index 8BExcursion INTRODUCTION 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 Empowers logo at the page margins throughout this book. To preserve the compact character of this manual, any illustra- tions 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 controlla- ble 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 Uke 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 man- ual not being required. This book has been enhanced with multiple excursions, partially offering more in-depth information on special topics not being covered by the Empower Online-Help as well as answering ques- tlons which are frequently forwarded to service provider. Particular functions and fields are displayed completely and in form of a table, thereby facilitating the use of this manual. The Empower software possesses an user-management. When describing the individual roles, we are assuming for the userto hold the respective user-rights. During day-to-day labora- tory 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 vol- ume, 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. ig fiProject Wind Esaple Projet Fie E88 View Toot Databese Help BZ a| |S eile] & S/6) Ala A il faex[oar——] emu tate | vorom [14] 4 | >I TT sonn ses [neces Shanna] uemeas meso ws [Resus Pats [Feces] Sin om [canes |vew raw Jouson Fes] Av Tas sea Stone saree Sns_[ rn ne ire eorane ear eraror sen Below the window title, as with all other Windows programs Is the menu bar (File, Edit, View, Tools, Database and Help) and the toolbar. Here you can find the tools which also can be selected from the menu item Tools. Asimilar Uist can be obtained via right mouse click on the pro- ject table, The table itself contains all project data such as chro- matograms, methods and results. The requested information is obtained by selecting a particular tab, which Is Indicated on top of the table. Alternatively, you can select the menu item View. 3. 7.1 Project Window Title Bar In the title bar of a project window the user name and selected user type is displayed beside the current project name and the used database. The user type defines the granted privileges toa user account, e.g. the deletion of data can be denied. Especially, when working with several projects, care should be taken, to always make the correct selection. Otherwise, data acquisition can be performed in the wrong context and data are stored to the wrong project. 3. 7.2 Tables within the Project Window Within the project window, the content of 13 different tables can be displayed by clicking on the respective table title.Genel auaary Geek cued Sample Sets A Sample Set is @ sequence of several injections that were acquired in a set. By double-clicking on a row, the view switches to the Injections table, where a list of all Injections Is displayed that are part of the selected Sample Set. 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 gener- ated Inside a detector and stored electronically. For other sig- nals, such as pressure or temperature curves, separate Channels are created. Methods” Here, various types of Methods within a project will be displayed. Processing Method Evaluation method Export Method Sample Set Method Template irra Method for exporting data Template for sample set methodsPEt 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 Resu/ts, 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 cal- culation was performed, can be found. Displaying even unknown and missing components. cut detector signal. After detection, chromatographically sepa- rated 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 Offs 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.Project Window Menu Bar Custom Fields These are all special and user-defined database fields. With Custom Fields, individual formulas can be defined for offering additional calculating options. 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. 3.8 Project Window Menu Bar By using the buttons of the icon bar, all relevant applications can be launched directly from the Project window, The most impor- tant buttons of the Icon bar are as follows:4. DATA ACQUISTION Connecting to a chromatographic system for instrument control and data acquisition via Empower you need to open the Run Samples window. fun Semples can be launched from the Project window using the button (2 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. Lope oe PORE pp Sea = Teo! © contguce me sytem © toons ropes There are three possible ways to do so, which are as follows: + From the menu bar you can select Tools > Run Samples + With a right mouse click on the project table you can select Run Samples from the context menu as well + You can choose the respective button in the toolbar. In case there is more than one system present you will get a Ust of all available systems. Please, select a suitable system and confirm your choice with OK. The Run Samples window will be displayed.ErMEa een ducks 4.1 Run Samples Window 4. 1.1 Overview of the Run Samples Window From the Run Samples window, data acquisition of single Injec- tlons, sequences and sample sets can be prepared, started and monitored. All relevant methods that are required for testing, can be created in this window. rene eg [BRT alton thon | Ihe Four Table Views In the Lower left section of the Run Samples window, four dif- ferent tabs can be selected. Single, Samples, Sample Sets and Running.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 Somples, 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 Queve. If multi- ple 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 Wilt 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 run- ning Sample Set by a right-click with your mouse, selecting Alter Running, Displaving the Chromatographic System At the bottom left corner of the Run Samples window, the sta- tus controls are located. Here, you can control and monitor the performance of system components such as pump, column tem- perature, auto-sampler temperature etc. Functionality and the appearance of the window can strongly vary, depending on the instrument being controlled and the driver associated. 4.1.2 Online-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 chromato- gram in more detail (e.g. zoom-in on baseline) whilst a sample set is running.EEE een cul ] With Empower3, currently plenty of third party Instruments can be controlled, Le. Instruments, whe- re 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 enhance- ments 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 relea- sed for every driver and where functionality and operation should be described sufficiently. 4. 1. 3 Most important Instrument Method Setting Instrument Method-Push Buttons Here, you have direct access to the Instrument Method, for mod- ification purposes, as well as the initiation of system equilibra- tion. Instrument Method Instruction Edit Monitor Setup In case, this toolbar item is not displayed on the Run Samples screen, It can be faded up using the menu option View > Toolbars > Instrument Method.Bae) 5.5.4 Purity The Empower function for performing peak purity evaluations is described in section , Peak Purity Control“ on page 211 in detail. 5. 5. 5 PDA Library Search The Empower function for performing PDA Library search is described in section ,5. 11. 8 Spectral Library” on page 203 in detail. 5. 5. 6 Components 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 set- tings defined. Sr Fle E6t View Took Plot recess Nasgte Options Window Hep PleFl a) 8) 1+} 2) wt] ole) ole) 2) Fhe) |e lease 2] Tal EAD Sack @ Pasta 2ee-valt Be Ineaont G Pasusar vere § Pasistor var § Proust mee § roux 2vas @ Pauses vas 6 Paua avn? a\s) DIGEAIs) <\vlel/q)| al 4) uty PeaxRsts (MS ln Rats)] DeteutAmoursParly [Named Groups] Uniden [Rev zl cone [Sd I> bc ina Sishactsn Ane Casation Sango ipe meat] _ AtoPea tat | eon ame} Pasian | ama aime(eseeen oma Ve F The functions of the single fields can be looked up in the table on the following pages. Peak identification while retention times are unsteady At unsteady chromatographic conditions retention times tend to wander or fluctuate. For compensating this effect Empower offers the option to update retention times.ee pee eee eb You can find the fleld Update RT on the Components tab of the Processing Method. Here, you can define how retention times should be updated. Selecting Replace the present retention time is simply replaced by the new one. With Average a mean value is calculated for all previous time values and the current one. The entries in the Component Table are still kept, whereas the time values for the calibration curve are updated as well. 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 tlme 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. rey eee Average By (None, Amount, Level) Defines the type of averaging standard injections for crea- ting a calibration curve, 2 None Amount Level Update RT (Never, Replace, Replace Defines whether retention time values Included in the Stds, Average, Average Stds): calibration should be adjusted for changing retention times. This feature requires a sufficient distance between the peaks to avold misassignments. RT Windows (%) Defines the retention range in percent of the retention time of the respective peak. cCalRef 1 Offers the possibility to define one component of the Processing Method as reference for Interpeak calculations. This reference can then be referred to in Custom Field formulas. RT Reference Used to Name Offers the possibility to name unknown peaks by the rela- Unnamed Peaks by RRT tive retention time. For assigning peak names to unknown peaks in this way only a reference component needs to be selected here. cEEr 1 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 descri- bed. By this the same components will get the same peak name throughout a whole Sample Set. More Information can be found at the end of this manual. 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. [components Ammnety [Fore] | | ce Ine Sd Anca Anca Codi, ara Pras |Pscen] mate oom owen] com rat oon ea 2... o on . |=} 000 Ba tee te se aw aw eee aw wwe me 4 _ = Mnection: 1 fafacecces | ssee] sersts] sase|seroo] vv [2250000] not [row es It is enough to select one single component to assign the peak name during the processing of a record (as shown in the above highlighted entry).ee pee eee eb Please consider: Always three decimal places are shown. If variations occur, Empower will assign another peak name. For example, the same peak can be labelled with RRT 0.517 in one chromatogram, whereas In another chromatogram It Is labelled with 0.518. The RRT values shown in the peak name are not averaged for the same peak for all injections present in a sample set. That’s why a harmonisation of the peak name for chemically Identical peaks Is not given. Retention Time Window Under RT Window % a global setting for the definition of a reten- tion time window can be set. The window is indicated in percent of the retention time of the respective component. Within this section a defined component is identified during calibration and quantification. If a retention time window Is necessary that differs from this global setting, it can be defined directly in the Component Table for each component individually. Interpeak Custom Field Calculation with CCa/Ref1 The Processing Method allows to define components as a var- iable, that can then be used during Custom Field calculations. With CCa/Ref1 a component can be selected that applies as a reference for the whole chromatogram. Further variables can be found in the Component Table (CCompRef1, CCompRef2 and CCompRef3), that can be used in respect to a specific component. The flelds are useful In order to avold the explicit naming of 2 component in a Custom Field equation. Hence, a much more fle: ble use of these equations is granted. Columns of the Component Table On the following pages a tabular listing of the functionality of all fields of the Component Table is given.PEE] Name Component Type Peak Label Retention Time (min) RT Window (min) Channel Peak Match (Closest, Greatest Area, Least Area, . ) Y Value Description of the component, name needs to be unique. Spelling must corre- spond to the entry performed for standard weighings in the Component Editor (Amounts) 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. Provides a further description for a component beside the Peak Name. 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. Defines the retention range, where the detection of a component Is expected to be recognized as a named component. The center point of this section Is the Retention Time. Possibility to select a Channel Name. Field entry is not required, if evaluated data only consist of one data channel. If more than one signal Is present and the method should apply to all of them, a channel definition can be performed. In this case a detection only takes place for the defined channel. If a compo- nent supposed to be detected in all channels, an entry is not required. Either a 2D-Channel or a Derived Channel can be selected, as It Is defined In the related Instrument Method or Method Set. If more than one peak Is detected within a retention window, this fleld Is used to define, which of those Is to be considered as component. By default the peak with the closest retention time Is used 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 iden- tification,Bae) 5. 5.7 Impurity eee Empower3 FR2 offers a new function for automated impurity cal- culations. For defining the calculations the new Impurity tab is used In the Processing Method. rE — ella) a) 202) alee) “14 solelabririede| ee) ala AIiezEMIe) slwelal = A detailed description of the mentioned functions follows in the next abstracts @ impurity Response: Quantity on which the calculation Is based on Selection of a Main Component ICH Thresholds: Definition of global threshold values Exclusion of Component Types for the calculation of the Adjusted Total Area @ Impurity Groups: Definition of own peak groups based on Component Types @ Specified Impurities: Definition of specified threshold values for famed componentsee pee eee eb Impurity Response Within the field Impurity Response the user can define the quan- tity which is used for the impurity calculation; following quant tles can be selected by default: + % Adjusted Area + % Area + % Area Against Main Component + % w/w + Amount * Concentration In addition, all user-defined peak custom flelds may be selected as well. For % Adjusted Area the selected peak area is calculated relative to an area sum (given In percent). Custom Fields available within the project are also offered for selection. After selecting % w/w, the below located field w Value offers var- ious values for selection: Impurity Response le Value: Le ICH Thresholds —|Amount ing [408 aaa Calibrationtactor Identification :| Concertation Height uaifcation Response. = Choosing % w/w as Impurity Response ends up with a calculation where the quantity selected In the fleld w Value Is calculated relative to the same quantity of the selected Main Component. The result of the calculation Is given in percent. For example, if Height is selected as w Value, the calculation will be as follows: Height of each detected peak / height of the main component = ratio in percent (%)Peta ed INDEX Symbols ___ 2nd Highest Peak 242 sD-data 314 5% Run Time Over Wich to Average 455 % Adjusted Area 145 % Highest Peak 242 % of Run Time 157 A Abort 95 Abort after Injection is completed 93 Abort after Vial Is completed 93 Aborting a Single Injection 70 Abort Now! 93 Abort Options 953 Abort run and continue on next une 93 Acquisition Client 340 Adjusted Total Area 146.147 AIA 41.279 Align Controls 254 Allowed Interfaces 335 Allowed User Types 334 Allow Negative Peaks 125 150 331 Allow this method to be used In Sign off 232 Alternate Units 237 Alter Sample 40 41 Always Local Login 335 Annotate Missing Peaks 239 Annotate Unknown Peaks 239 Annotation Tools 300 Apex Detection 129 ApexTrack 122 126 128 150 300 310 315 Detection Threshold 129 Litoft % 129 Archiving of Projects 289 AreaRatlo 177 Ascend 44 Ascend/Hide 44 ASCII 41 279 285 Atlas 280 Audit Trail 38295 Audit Treil Comment 61 312 Autofill 85 Automatically Apply Method Set 186 Autoscale 242 Auto Ticks 236 Available Components 349 Average 136 Average By 157 175 Average Detector Drift 158 Average Detector Nolse 157 158, 160 Average 159 160 Average Points 175 Average Stds 137 Avocent Box 344 Axis Label 256 ‘Axis Units (XUnits/YUnits) 236 Bo Background Processing 286 Background Processing and Reporting 228 Backup 281 Backup Project Wizard 316 Backup to current project direc- tory 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 eo Caleulated 366 Calculate USP, EP and JP s/n 164, Cal Curve ID 137 Calibrate 85 135 169 179 Calibrate and Quantitate 165 Calibrate Only 165 Calibration Curve 177 Calibration 1D 137 CcalRefi 137 139 378 CComprett 139 CCompRetx 145 CConsti bis CConst7 143 Change Project/System 26 Channel 37 140 Channel Name 140 ChemStation 280 Child Projects 322 Chromatogram Chromatogram Annotation 238 Chromatogram Fraction Regions 238 Chromatogram Properties 254 Chromatogram Properties - Colors 247 Chromatogram Properties 247 Chromatogram Properties By 245 Chromatogram Properties - Overlay 238 Chromatogram Properties Rotation 242 Legend 243 Chromatographic System Properties 348 rix 280 280 Citrix environment 52 Fonts order « Citrix Terminal Server 19 Clear Calibration 83 164 Clone 323 Cloning of Projects 323 Column Properties 262 Compare 40 325 Component Field 369 Components 136 Component Table 137 139 Component Type 140 144 146 COM port 344 Composite Groups 254 256 Condition Column 84 Configuration Manager 294Configure DHCP 345 Configure System 294 Confirm Identity 298 Confirm New Password 358 Contents 33 Continue with next sample 94 Control Charts 162 Control Panel 22 Copying of Spectra 290 Copy&Paste 279 Copy Preferences 306 Copy Spectra/Structures 290 Copy to Project 324 Copy to Sub-Projects 515 Create New System 346 Curve Reference 142 175 Curves 38 Custom Fields 39 514 356 Do Data Acquistion 56 Database 32.55. 287 Database Tablespace 314 Data Channels 191 Data entry required 361 Data Filtering Conditions 245 Datatypes 559, Date Formats 300 Defautt Algorithm 345 Default Amounts 152 Default Individual Report Method 228 Default Pk 142 Default Pk End (min) 142 Default Pk Start (min) 142 Default Strings 140 305 Defautt Units 143 Default User Interface 335 Defautt User Type 335 Default Value 361 Detimeters 282 Derived Channel 140 181, Descend 44 Descena/Hide 44 Detection Threshold 129 Detector Drift 158 Detector Noise 157 160 162 Detect Shoulders 150 131 DHCP 344 Dilution Factor 41 Don't allow application to stay run- ning after logging off 297 Don't allow multiple logons 297 Double Peaks 131 Drag&Drop 260 Drawing Objects 255 Driver Software 58 Ee Editing a Sample Set 85 Electronic Signature 295 Email 301 EMF 42 Enable ApexTrack Integration 315 Enforce Minimum Password Length of:... characters 297 Enforce Unique User Account Names 296 Enforce Unique User Passwords 296 Enterprise Edition 18 Enum 359 EP s/n 162 Equilibrate 84 Equinox port 344 Ethernet 345 Excel 279 282 285 503 Excluded Component Types 146 Exponential Notation 244 Exponential Skim 125 130 Export 40 41 Export ASCII File 282 Exporting data 278 Export Method 37 281 Export to Text 288 External 360 Ee Field Name 244 Field Type 244 Field Types 359 Finish an interrupted Sample Set on eRe Fie (linear...) 144 Force Baseline by Peak 130 Force Baseline by Peak / by Time as Force Baseline by Time 130 Force Drop Line 125 130 Force Peak 125 150 Formel Editor 358 Forward Horizontal by Peak 150 Forward Horizontal by Peak / Forward Horizontal by Time 126 Forward Horizontal by Time 150 Fractions 38 Full Audit Trail Support 298 Full Lock 322 Full Name 336 Function 69 Go Gaussian Skim 150.132 6c 6890 544 Global Default User Interface 297 Global Projects View 524 Group Admin 330 Group By 267 A Header/Footer View 251 Highest Peak 242 2 ICH Threshold 144 147 Import Import Function 279 Importing Data 278 Importing Plate Types 280 Impurity Impurity Group 144 147 Impurity Processing 140 Impurity Response 144 145 Impurity Type 143 Include Duplicate Results 262 Inhibit Integration 126 150 Inject Functions Inject Controls 82 Inject Immediate Samples 83 387