PROLab Plus Manual

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ProLab Plus

Manual

The software package for

method interlaboratory tests

and proficiency tests

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Version: 2.14

For Windows NT, Windows 2000, Windows XP, Windows Vista and Windows 7 December 2011 quo data GmbH Kaitzer Straße 135 D-01187 Dresden Germany phone: +49 351 402 88 67 0 fax: +49 351 402 88 67 19 Email: [email protected] www.quodata.de Software development Dipl.-Ing. Norbert Schick Omri Teufert

Robert Walther Daniel Rothmaler Sebastian Falk

Dipl.-Phys. Christian Bläul PD Dr. Steffen Uhlig Manual

Dipl.-Math. Sabine Antoni Kirsten Simon

Meike Schreitz PD Dr. Steffen Uhlig

The software described in this manual must only be used or copied according to the terms and conditions of the license agreement.

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1 Introduction

ProLab Plus is a software package specially conceived to facilitate a professional and effi-cient performance of the various tasks which arise in the context of interlaboratory tests, from statistical analysis to professional data handling. ProLab Plus can be used for the certifica-tion of reference materials, the evaluacertifica-tion of analytical methods and for the assessment of laboratories.

ProLab Plus will prove useful at every step of a proficiency test. It provides tools which will assist you right from the planning stage, to the realization of homogeneity tests, the automat-ic data input from laboratories, the applautomat-ication of statistautomat-ical analysis and the generation of re-ports.

Several statistical methods are available:

- ISO 5725-2

- DIN 38402 A42 (German standard for

method ring tests for water analyses)

- Swiss Food Manual

- Q-Method/Median (Robust statistical

method)

- Q-Method/Huber (Robust method for

proficiency tests used e.g. by the Ger-man co-operation for water analyses ‘LAWA’)

- DIN 38402 A45 (Robust Q-method and

Hampel estimator)

- ISO 5725-5 (algorithm A+S) - Nested Design 2x2 (ISO 5725-3/5) - Nested Design (ISO 5725-3) - (Empirical) Horwitz function - ISO 13528

As for the assessment of laboratories, there are also several available protocols, such as the international Harmonized Protocol of IUPAC, ISO and AOAC1, ISO 13528, DIN 38402 A45, CD ISO 20612 and the LAWA2 protocol. More specifically, the laboratories can be assessed by

- Z scores, Z_u scores, Zeta scores, Z’ scores - Youden plots

- RSZ (Rescaled Sum of Z Scores) - RLP (Relative Laboratory Performance) - Percentage of successful measurements

ProLab Plus allows flexible data input, whether manual or through the import of digital files. The simple data entry program RingDat is provided which may be forwarded to the participat-ing laboratories without extra charge. Additional information on the laboratories and the methods can be entered into the system, such as addresses, the determination limit and the detection limit, the sample preparation method and the analytical method.

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Michael Thompson and Roger Wood (1993), International Harmonized Protocol for Proficiency Testing of (Chemical) Analytical Laboratories. Journal of AOAC International 1993, Vol. 76, 926-940.

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AQS der Länderarbeitsgemeinschaft Wasser für Wasser-, Abwasser- und Schlammuntersuchungen (Working Group on water issues of the federal states and the federal government)

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A powerful data selection program assists the user in the evaluation and the presentation of results, enabling him to sift data as convenient, to generate individual reports or reports for selections of laboratories, and to set up and save selection patterns. Up to four selection pat-terns per ring test can be saved.

All results are stored in the database. Comments can be saved for participants, measure-ments and within charts.

Numerous specialised chart-generating functions are provided to assist in the presentation of results, while a powerful report designer enables the generation of editable reports. Reports can be exported into the formats PDF, RTF (Word), XLS (Excel), HTML, Text and CSV. Charts can be converted into Bitmaps (BMP), Scalable Vector Graphics (SVG) and the Win-dows Meta File format (WMF).

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2 Preparation

2.1 System requirements

The hardware and software requirements for ProLab Plus are listed in the following table. Processor Intel Pentium or compatible with at least 1 GHz (> 2.4 GHz

recom-mended)

RAM 512 MB

Hard disk > 300 MB free

Operating System Windows NT (with service-pack 5), Windows 2000, XP Professional

(not Windows XP Home Edition), Windows Vista and Windows 7.

ProLab Plus runs stable under Windows 7, and all calculations and reports work as ex-pected.

2.2 Installation

1. If you have an existing ProLab Plus version, please backup your current ProLab Plus program directory and your database before installing the new version into the current program directory. The path to the database is shown at the very top of the ProLab Plus window.

2. If you downloaded a setup program from our website, please run it now. If you want to in-stall ProLab using a CD, please put the CD into the drive. The setup program will start automatically. If not, please run setup.exe in the root directory of the CD.

3. Follow the installation dialogue and use the directories proposed. Upon successful instal-lation, a program group ProLab will be created, which contains ProLab, a help file for the Report Designer (Qrduser) and a program for direct input of data from laboratories (RingDat).

4. Run ProLab Plus.

5. After the first start you will see a registration dialogue with a registration number. You can phone quo data GmbH (+49 351 402 88 67 0) or send an email ([email protected]) and you will get the necessary key. After input of the key press “Save”.

Alternatively, you can proceed as follows. Close the program ProLab Plus. In the program directory you will find the file REGISTER.INI. Send this file via email to [email protected]. Within one working day, you will receive a new file REGISTER.INI with the key. This file must be copied into the program directory of ProLab, replacing the original file.

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2.3 Use of interlaboratory test data of older ProLab Plus versions

Since ProLab 2003, a new database format is used (ADS, developed by Sybase which be-longs to SAP). The current version ProLab Plus 2.14 uses ADS 10. It is therefore not possi-ble to directly access older BDE databases. However, the conversion program „ProLabMigrator.exe" allows simple conversion of the old databases. Start this program, se-lect the directories for the BDE database and the ADS database and start the transfer.

2.4 Hotline

In case of problems use the hotline of quo data: +49 351 402 88 67 0 or send an email to:

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3 Overview

The main menu is the starting point of every evaluation using ProLab Plus. You are in the menu as soon as you successfully start ProLab Plus.

The main menu contains eight modules, which can be selected using the common Windows techniques (mouse, arrow keys or input of the corresponding character):

- File - Database

- Homogeneity / Stability - Selection

- Statistics

- Charts and tables - Window

- Help

The modules are ordered in such a way that, in the performance and evaluation of a ring test, they are typically activated from left to right. One starts in the module File with the defini-tion of settings for reports and data base tables. That is followed by the descripdefini-tion of the ring test, of the samples and measurands that are to be examined and evaluated, and of the en-coding of laboratories and samples. Once the results start coming in, they will thus be able to be imported or manually entered. All necessary functions for the latter procedure are located in the module Database. If required, a test of the homogeneity of the samples in preparation for the ring test can be conducted in the module Homogeneity / Stability, which also provides the necessary functions for any stability tests to be conducted later on. The Selection module provides all relevant tools for the selection of samples, measurands and laboratories to be included in assessment and analysis procedures or in the presentation of results. The evalu-ation, analysis and assessment procedures are then carried out in the module Statistics, while reports and charts in various layouts can be generated and displayed in the module

Charts and tables. Each step within this sequence affects subsequent steps. All statistical

re-sults obtained at any stage will be directly stored in the database. Earlier rere-sults of the same ring test will be overwritten automatically. If there are some modifications to implement ( e.g. in the calculation of Z scores) it is not necessary to create a new test: changing the data at the earliest relevant step is sufficient.

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File Settings

Formats, general report settings and report designer Generate database, change database, backup files

Database Database and data input

Ring test selection

Basic tables: ring tests, samples, measurands (analytes), laboratories Structure of ring test: assignment of laboratories and measurands Encoding: Encoding of laboratories and samples

Participating labs and outstanding data

Characteristics of measurands: reference values, units, conversion factors et al. Definition of analytical methods and sample preparations

Test results

Creation of corrected measurands Duplicate ring test

Export: CSV files, laboratory files, ring test, email merge

Import: structure/test results, addresses, measurands & samples, analytical methods & preparations and ring tests

Homogeneity / Stability

Import and analysis of homogeneity and stability test results Import test results

Test portion encoding Test results

Computation of homogeneity and stability

Selection Selection of data for statistical analysis and the presentation of results

Selection of samples and measurands

Selection of samples, measurands and laboratories Save and load selections

Statistics Analysis and assessment

Calculation of statistical parameters of the ring test (lab means, lab s.d., overall mean, reproducibility s.d. and repeatability s.d., specification of target value and target s.d.)

Calculation of tolerance limits and single scores (Z scores, Zu scores, Zeta

scores, Z’ scores)

Charts and Tables

Charts and tables of the statistical analysis

Comprehensive presentation of results for each sample-measurand combination separately

Survey of scores

Combination scores and ring test-spanning analyses Test on equivalence

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Youden plot

Histogram and normal plot

Chart of repeatability standard deviations Kernel density estimator (KDE)

HORRAT trend

Principal component analysis Mandel’s h & k statistics

Laboratory mean values per sample and per measurand

Further reports: number of test results and labs, survey of test results, method characteristics, summary of outliers, individual reports

Help Help function

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4 General information

4.1 Mouse functions

The main functions of the program can be activated by using the left mouse button. Some additional functions ( e.g. number of columns and column-width in tables) can be activated by using the right mouse button.

4.2 Database handling

In some forms, data sets ( e.g. measurands, ring tests, labs, samples, test results) can be accessed, edited, added or deleted. The following commands are available for this purpose:

Back _{Go to the previous record}

Forward _{Go to the next record}

Insert _{Insert new record}

Delete _{Delete selected record}

Save _{Save changes}

Cancel _{Cancel editing}

Please note that it is not possible to undo changes in the database. Therefore it is very im-portant to make a backup of the database at the beginning of each session, so the original database can be recovered. For the creation of the backup select File – Backup file.

4.3 Important buttons

The following list explains some important buttons frequently used in the program:

Close Closes current window.

Report Click this button to display a report preview for the selected data. In many

cases, it is also possible, by simultaneously holding down the SHIFT key , to open a spreadsheet which allows data editing and storage in a way similar to the Excel program.

Help Activates help for the current window.

Save Click this button to save tables or charts as a file.

Print Click this button to print out reports or charts.

Lab code Click this button to turn switch between the laboratory name (LName) and

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4.4 Overview of buttons in main window

The buttons in the main-menu toolbar make it possible to easily activate the most important and commonly used functions. The following table offers an overview of these shortcuts.

Change ring test and define working mode Settings

Survey of test results Edit data of basic tables

Assignment of participating laboratories Assignment of measurands to samples

Assignment of measurand-sample combinations to laboratories Encoding laboratories

Encoding test portions

Ring test-specific characteristics of measurands Edit test results

Select sample / measurand for further use

Select sample / measurand / laboratory for further use Save selection

Load previously saved selection Calculation of ring test parameters

Calculation of scores and laboratory evaluation

Chart/table of laboratory mean values and standard deviations Survey of scores

Chart of tolerance limits and rel. standard deviations Youden plot

Histogram und normal plot

Table of laboratory mean values and scores – per measurand Table of laboratory mean values and scores – per sample Help

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5 Selecting ring tests

Many features of ProLab Plus are specific to the selected ring test. Subsequently used mod-ules and functions always refer to the ring test previously selected in the selection box.

Figure 1: Main menu

There are two different working modes for a ring test. They can be selected from the main menu via the button Ring test or via the menu Database – Ring test selection.

5.1 Putting ring tests in edit mode

If you want to work on a ring test, e.g. enter test results, carry out calculations etc., select the checkbox in the Access column for the relevant ring test and double click on the ring test, or close the window and select it from the selection box on the top of the main window.

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If you only want to view the results and prepare presentations, do not select the check box, but double click on the relevant ring test or select it from the selection box on the top of the main window. No data input or changes are possible in this mode.

If all ring tests should be included in a presentation, all of them need to be made accessible. Therefore click on the button Make all ring tests accessible. If you don’t want any of the ring tests in the edit mode, click on Make all ring tests read-only.

If a ring test is marked in red, it is currently opened on a different computer. You can also open it and make changes, but this may lead to inconsistencies in the database.

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6 File menu

The File menu contains settings for reports and tables, the report designer and selection of the database.

6.1 Settings in reports, tables and charts

The Settings dialogue box allows you to choose different settings for how information will be displayed in the reports, tables and charts. This includes the specification of number formats and the name of the institution. Furthermore, the currently used logo is shown. It may be changed via the button Change.

Changes will be saved automatically upon closing the window or switching between tabs.

6.1.1 General settings

This tab enables you to enter general settings such as institution name, number format, crea-tion date, chart size and colours. If the check boxes for number format, date or default chart size are marked, these settings will apply to all tables, forms and graphics displayed.

Figure 3: File – Settings – General

The characters for formatting numerical values are:

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Decimal separator

0 this digit must be a numeric character # this digit may be a numerical character E+ exponential notation

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By clicking on Reset chart settings all saved chart settings and profiles as well as information regarding size and colour are reset to the default setting. By clicking on Reset non-chart

set-tings and confirming the list of configuration files to be deleted, all information regarding

insti-tution, date and number format and many other settings stored by other ProLab windows are reset to the default setting.

By marking the checkbox Highlight outliers of type E in the summary results this option can be selected. For further explanation of outliers of type E please refer to chapters 10.2 and 11.1.

6.1.2 Report settings

The tab Reports contains a comprehensive list of commonly used report templates. ProLab Plus offers a wide variety of templates, so the time-consuming task of designing reports can thereby often be avoided.

Figure 4: File – Settings – Reports

Select a report and click this button to open the Report designer module. Alternative-ly, a double click on the report will open the same module. Any changes become

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ef-fective upon saving the report in the Report Designer module. Customised report are highlighted in bold writing.

Since for some reports the data is missing in the templates, the report might look somewhat strange at first when using the preview. Upon input of data, however, you will find that the report looks fine.

Using this button will reproduce the original report template as created by the installa-tion program. This button is only relevant for reports highlighted in bold writing, that is to say, for customised report templates.

Designing new reports is possible, either directly or by using the Report Designer module. This button opens the Report Designer for creating a new report.

This button allows you to edit existing reports.

User-defined reports can be accessed via the menu Charts and tables – Further reports –

Own reports.

The last column in the table shows the date of the last adjustment of the report template, not the date of the last time the report was used.

6.1.3 Caption settings

The Captions tab contains standard abbreviations for a number of names for titles and head-ers in charts and tables (e.g. column headhead-ers) and enables you to customise them. Please be aware that these settings will not become effective in every report. In some cases, the particular report has to be adjusted using the Report Designer.

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Figure 5: File – Settings – Captions

6.2 Start report

By choosing the menu item File – Start report or pressing F8, you can determine the page number on which the next report you want to print will start. This is helpful when there are several reports to be compiled, i. e. you want to combine them into one report with succes-sive page numbers.

6.3 Log info

During a ProLab Plus session the following information is saved:

- Time of log in and log out - User name

- Imported data

- Test results that have been changed

- Protocol of calculation of ring test parameters - Protocol of calculation of scores.

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To access this information please choose Log info from the File menu. To open the report preview containing the information from all ProLab Plus sessions use the Report button.

Figure 6: File – Log info

6.4 New database

Via File – New database a new and empty database can be generated automatically in a new directory. This might be appropriate when different ring tests should be saved in differ-ent databases. Generally, saving ring tests in one and the same database might be reasona-ble, e.g. for an analysis spanning several ring tests; however, too many ring tests in the same database may slow down the program noticeably.

After selecting a directory from the list or entering a name for a new directory in the edit win-dow, the structures of the tables in the current database are copied to the target directory.

WARNING: Existing tables in the target directory will be overwritten whereby any data con-tained in these tables will be lost.

6.5 Change database

It is possible to change database directories, that is to say, to transfer a database with all the data relative to a ring test from one directory to another. Make sure that the new database di-rectory contains all required tables, otherwise your work may be compromised. This is best achieved by using the Backup file command or by copying the database directory outside of

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ProLab Plus.

6.6 Backup file

This command allows backing up the entire database (all tables) in a compressed file and recovering it again from this file if necessary. LHARC is used as compression format. For saving your data, select a target folder and enter a file name.

When quitting ProLab Plus you will be asked whether you want to create a backup copy of your database. Additionally, you can manually backup the database to a folder of your choosing by using the following tab.

Figure 7: File – Backup file (Backup of database „Demo“)

6.6.1 Restore from file

In this window, all backup files that have been created so far (and still exist) are listed. In or-der to restore one of them, simply select it from the list and click the button Restore from file. Alternatively you can choose Select file… in the first row of the table and specify the LZH file you want to restore.

WARNING: Any existing data will be overwritten and thereby lost.

If you want to restore a database without overwriting existing data and tables, please create a new database as described in section 6.4 before restoring.

6.6.2 Store database to file

In order to create a backup of your database, you have to select a target file first. Normally that will be a new file, which can be created via the first row Select file… Alternatively an ex-isting file from the list can be chosen. To start the process simply click Store database to file. Please note that any existing data will be overwritten and thereby lost.

6.6.3 Advice for long-term storage

Although there are several programs of other developers or Open Source communities which can open LZH files and/or the contained Advantage Database System files, this binary for-mat may not be the best choice for long-term storage of ring test data. It is recommended in-stead to export plain-text CSV files additionally (please refer to chapter 7.11.1).

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7 Database menu

7.1 Ring test selection

Please refer to chapter 5.1, Putting ring tests in edit mode.

7.2 Basic tables

A ring test is defined by the samples, the measurands and the laboratories. Therefore, the tables for the ring tests, samples, measurands and laboratories constitute the foundation of the database. The basic tables can be reached via Database – Basic tables. In these tables, all the information on samples, measurands and laboratories is entered, but no allocation ( e.g. e.g. which measurand is analysed by which laboratory on which sample) is carried out yet.

7.2.1 How to work with the tables

The data tables offer a powerful tool for working with the database. The data can be sorted and grouped in several ways, fields can be added and removed and whole tables or selec-tions can be saved in different formats.

In the following, several possibilities for working with the tables are described. However, it must be noted that not all commands are available in all tables.

The most important buttons are

Save Save changes

Cancel Cancel editing

Add Add new data

Delete Delete selected data

New data ( e.g. ring tests or samples) can also be added by clicking into the first row of the respective table.

Please note that the names of the ring tests, the measurands, the samples and the laborato-ries are unique identification labels. Therefore they should not be changed later on. Name must only contain capital letters and numeric characters. Description can be filled and/or changed later. If the Description field is left empty, Name will be entered automatically. When clicking with the right mouse button onto the column headers, a pop-up menu opens within which the available commands are in dark letters (see Figure 8). These commands will be explained in more detail in the following:

Reset table settings

All changes in the appearance of the table can be undone by choosing Reset table settings from the pop-up menu. You get there by a right click with the mouse onto any column head-er.

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Sorting

The tables can be sorted in ascending or descending order (with respect to a selected col-umn) either

- by left-clicking in the respective column header or

- by selecting the commands from the following pop-up menu, which opens by

right-clicking into a column header.

Figure 8: Pop-up menu after right mouse button click into column header

Add and remove columns, adjust order

The order of the columns can be changed by drag & drop: simply click in a column header and by keeping the mouse button pressed move the column to the desired position.

Unnecessary columns may be hidden by deselecting the respective column from the list that can be reached via the button Visible columns. A column may also be removed by clicking in the header and selecting Remove This Column from the pop-up menu. If formerly removed columns or further columns should be added to the table, simply select the column from the list under Visible columns or select the Field Chooser from the pop-up menu. From the field chooser, a column can be moved to the table by drag and drop.

In order to add or remove several columns at once, right-click anywhere inside the table (not in the headers) and select Select columns from the pop-up menu while keeping the Shift key  pressed.

The column width can be adapted manually by moving the separators of a column. The best fit, i. e. the column width that enables to see the whole content of the column without wasting too much space, can be obtained by double clicking on a separator or by choosing Best Fit from the pop-up menu. An optimal width of all columns can be obtained via the command

Best Fit (all columns) from the pop-up menu. Grouping

A table can be grouped with respect to column entries and will thereby be divided into sub-tables. Grouping can be done by marking the desired column and selecting Group By This

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Field from the pop-up menu. After selecting this command, a dark grey box will appear above

the table indicating the column according to which the grouping is carried out. A further pos-sibility for grouping is to select the command Group By Box from the pop-up menu. The dark grey box then appears without any column header name. Now the column according to which the grouping should be carried out can be moved to the dark grey box via drag and drop.

In , the table grouping of measurands with regard to the column Category 2 is shown. As there are three entries in the Category 2 column, the grouped table now consists of three sub-tables, one for light metals, one for heavy metals and one for gasses. These sub-tables can be opened or closed via the + / - buttons.

Of course, a table can be grouped several times in succession. Thereby more and more sub-tables are generated. This grouping can be done again either by successively marking col-umn headers and selecting the command Group By This Field from the pop-up menu or by selecting the command Group By Box once and then successively dragging fields to the grey box above the table.

In both cases, the hierarchy of the grouping will be shown in the dark grey box.

Figure 9: Basic table of measurands grouped by Category 2

Column width

Using the menu option Best Fit, the width of the columns will be adjusted according to the content. To adjust all columns at once the shortcut Ctrl + Addition (on the numerical key-board) can be used.

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Copy

Whole tables or selection thereof can be copied to the clipboard and, e.g., inserted into an Excel table. For this purpose use the right mouse button within the table (not in the headers). Then a pop-up menu will be displayed where you can select Copy table or Copy selection. With the first command, the whole table is copied. With the second command, only the row in which has been clicked is copied, along with the column header.

Figure 10: Pop-up menu after right mouse button click into table

Save

All tables can be saved in different formats: text file, Excel file, XML file or HTML file. The ta-ble can be saved as a PDF or RTF file from within the report preview. For this purpose use the right mouse button within the table (not in the headers). Then a pop-up menu will be dis-played where you can select the desired saving format.

The information of a grouped table is always completely saved independently of the way it has been displayed in ProLab Plus, i. e. the information of sub-tables closed in ProLab Plus will be saved as well. Of course, the grouping is saved, too.

Search text

After clicking this menu item, a search bar will be shown. That bar can be opened by using the shortcut Ctrl + F alternatively. To close the bar, click on the cross on the left side or use the Esc key.

Select columns

This option opens a list with all columns that can be shown. There are three different types of lists:

1. In most windows, the default setting leads to a list with check boxes, which makes possible a swift selection of columns to show or hide.

2. If you decide to change the visibility of more than one column at once, hold the Shift key down while clicking on the menu option ‘Select columns’.. A window appears in which you can show or hide all columns by using the keys ‘>>’ or ‘<<’. It is also

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possi-ble to show or hide single columns in this window. Some tapossi-bles only offer this win-dow.

The third window can be reached by a right mouse click into a column header and se-lecting Field Chooser in the opening pop-up menu. The usage of that window is de-scribed above.

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7.2.2 Ring tests

The parent data for ring tests can be edited (entered, changed, deleted) in the Database –

Basic Tables dialogue box on the Ring tests page. The list comprises all open ring tests, i. e.

all ring tests that are opened in the Edit mode (see section 5).

Figure 11: Database – Basic Tables – Ring tests

Name stands for the abbreviated name of the respective ring test. In the database it is

usual-ly referred to as RName. To add a new ring test, either click in the box Add ring test or click on . Enter the name of the ring test (Name) and, if necessary, the Description, the Date of

analysis, Report date, Cut-off date (unofficial deadline), Design and the number of Replicates

in the respective cells of the table. Name may only contain up to eight capital letters and nu-merics.

For every ring test, a design can be selected from the scroll-down box, though this is not mandatory:

- Select single measurement if only one test result will be reported for every

laboratory-sample-measurand combination.

- Select with replicates and enter the number of replicate measurement values for every

laboratory-sample-measurand combination in the pop-up window. The number of repli-cates can be changed later if necessary. This will be used as default setting for the ex-port of laboratory files (7.11.2) and in the window for the input of test results. The com-putation of means and standard deviations however is not affected by that setting, as the number of actually available measurements is independently determined for these functions..

- Select Nested design if you would like to work with a ring test design where e.g. two

measurement values belong to one day and two values belong to another day (see ISO 5725-3).

The selection of the design will affect the window for entering the test results, however the design can always be changed again later, if need be. If no design is selected, the number of replicates can be defined later on, in the test results window.

Further information (e.g. year, organizer) regarding the ring test can be entered in the field

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Warning: If you delete a ring test, please note that this operation will also delete any data in other tables that refer to this ring test ( e.g. samples, ring test-sample-measurand combina-tions, test results, lab codes). It does not delete measurand and laboratory data in the basic tables.

7.2.3 Samples

To enter a new sample or change information regarding existing samples, please select the tab Samples in the dialogue box Database – Basic Tables.

After selecting the corresponding ring test, a sample can be added either by clicking in the box Add sample or on the button. Afterwards Name and Description can be entered in the corresponding fields. The name of the sample (in the database referred to as SName or

PName) is a unique identification, therefore it should not be changed later on. Name must

only contain capital letters and numerics.

Figure 12: Database – Basic Tables – Samples

For an easier selection of samples in the calculations, two categories are available under which distinguishing features of the samples can be entered. The button Sorting opens a new window, where the samples can be sorted by drag & drop or according to defined fields. Please be aware that changes can only be made if the ring test is opened in the Edit mode. Entering a new sample requires the existence of a ring test, as samples (other than measur-ands or laboratories) are always subordinated to a ring test.

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Warning: Please note that deleting a sample will also delete any data in other tables that re-fer to this sample ( e.g. ring test-sample-measurand combinations, test results, test portion codes). Deleting a sample does not however delete ring tests, measurands or laboratory da-ta in the basic da-tables.

7.2.4 Measurands

The parent data for measured measurands can be edited (entered, changed, deleted) in the

Database – Basic Tables dialogue box on the Measurands tab. Changes are only possible, if

the corresponding ring test is opened in the Edit mode. If the ring test is opened in the Read mode, the measurand data can be read, but not changed.

To add a measurand, either click in the box Add measurand or click on . The table of measurands is independent from the ring test and the sample. The necessary allocation will be carried out later.

In the form you can enter the name of the measurand (Name – in the database referred to as

MName), the description of the measurand and – if desired – further distinguishing features

under two categories and the number format for the test results. The restriction of using only capital letters and numerics for Name applies here as well.

If you want to change the order in which measurands appear elsewhere in ProLab, please click the Sorting button. A pop-up window will appear where you can choose how the meas-urands should be sorted: by name, description or category (or manually via drag and drop).

Figure 13: Database – Basic Tables – Measurands

Warning: Please note that deleting a measurand will also delete any data in other tables that refer to this measurand ( e.g. ring test-sample-measurand combinations, test results). Delet-ing a measurand does not however delete rDelet-ing tests, samples or laboratory data in the basic tables.

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7.2.5 Laboratories

The parent data for laboratories can be edited (entered, changed, deleted) in the Database –

Basic Tables dialogue box on the tab Labs as Table. To add a laboratory click in the box Add laboratory or on the button in the lower part of the window.

The table of laboratories is independent from the ring test and the sample. The necessary al-location will be carried out later. Changes are only possible if the respective ring test is opened in the Edit mode. If the ring test is opened in the Read mode, the laboratory data can be read, but not changed.

You can enter the name of the laboratory, a description, the address and – if desired – fur-ther information such as contact person, email address, telephone numbers etc. Email ad-dresses and contact persons are of special importance if you want to use the email merge module of ProLab Plus (see also section 7.11.4). More than one address can be specified by using spaces or semicolons as delimiters. Furthermore, up to two categories can be speci-fied for each laboratory that allows for a later selection of sub-groups of laboratories.

Please note, that for Name only capital letters and numerics are allowed. If the Description field is left empty or contains only space characters, the laboratory name will be entered au-tomatically, since different reports and graphics use the description to specify the laboratory. To show a tabular summary of all laboratories click the Report button.

Figure 14: Database – Basic Tables – Labs as Table

Displaying all information on a laboratory in a table often leads to a confusingly high number of columns that can hardly be displayed at once. Therefore, on the tab Labs as Cards there is also the option to show all laboratory information as business cards.

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Figure 15: Database – Basic Tables – Labs as Cards

As the address structure varies from one country to another, it is possible to enter all address information in the additional fields Additional 1 to Additional 6 instead of the fields Street, ZIP and City. This offers the possibility to create, for example, address labels with the correctly arranged address. Thus (see also Table 1), for a German address the additional name of the laboratory could be entered in the field Additional 1, the street with number in Additional 2 and the postal code and city in Additional 3. For the UK the additional name of the laboratory could be entered again in the field Additional 1, the street with number in Additional 2, the city in Additional 3, the county in Additional 4 and the postal code in Additional 5.

Germany USA UK

short name of lab 1 additional name 2 Street + No 3 ZIP City Country

short name of lab 1 additional name 2 No + Street 3 City State/ZIP Country

short name of lab 1 additional name 2 No + Street 3 City 4 County 5 ZIP Country

Table 1: Examples of addresses

Warning: You may delete laboratories, but please note that this operation will also delete any data in other tables that refer to this laboratory ( e.g. ring test-sample-measurand combina-tions, test results, lab codes). Deleting laboratories does not however delete ring tests, sam-ples or measurands in the basic tables.

7.3 Structure of ring test

After the basic tables have been filled, it still has to be determined which samples were ana-lysed by which laboratories with respect to which measurands. Hence it is necessary to

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as-sign the investigated measurands to the samples and the laboratories to the respective sam-ple-measurand combinations.

Therefore select the command Structure of ring test in the menu Database or the buttons:

for the laboratory allocation

for the sample-measurand allocation

for the sample-measurand-laboratory allocation.

7.3.1 Laboratory allocation

In the window Laboratory allocation all laboratories that take part in the ring test can be se-lected.

In order to assign a laboratory to the ring test, double click into the column that is indicated by a lighter background colour. If there are more ring tests in the database, they are shown as well, so you can compare with previously organised ring tests. The current ring test is al-ways shown in the first column and indicated by a lighter background. All remaining ring tests follow in chronological order. By selecting rectangular sections of the column you can easily choose several laboratories at once and either assign them to the ring test by clicking on the button Include selected laboratories or delete them by clicking on Exclude selected

laborato-ries. If you want to allocate all laboratories to the ring test, simply click on Include all labora-tories.

Warning: Please note that deleting the allocations of laboratories will also delete the corre-sponding test results!

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Figure 16: Database – Structure of ring test – Laboratory allocation

By marking the checkbox Participating laboratories first, the laboratories that participate in the corresponding ring test are listed first followed by the laboratories (if applicable) that do not participate.

The table can be sorted by name, description or category by clicking in the respective co-lumn headers.

A list of all participating laboratories can be displayed by clicking on the Report button.

You can select the columns to be displayed, define the width of the columns and copy parts or the whole table to the clipboard for further use, e.g. in Excel, with a right mouse button click into the table.

7.3.2 Sample-measurand allocation

Select the menu Database – Structure of ring test – Sample-measurand allocation to specify which samples have been or will be analysed with respect to which measurands.

To assign a measurand to a sample, check the corresponding cell by double-clicking. By se-lecting rectangular sections of the table you can easily choose several measurands at once and either assign them to samples by clicking on the button Include selected combinations or delete them by clicking on Exclude selected combinations. If you want to allocate all measur-ands to all samples, simply click on Include all combinations.

The current assignment table can be viewed as a report by clicking on the Report button. You can select the columns to be displayed and define the width of the columns with a right

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mouse button click in the table. Furthermore, the whole table or sections of it can be copied to the clipboard and pasted to e.g. Excel.

Warning: Please note that deleting the assignments of measurands will also delete the cor-responding test results!

Figure 17: Database – Structure of ring test – Sample-measurand allocation

7.3.3 Sample-measurand-laboratory allocation

Select the menu Database – Structure of ring test – Sample-measurand-laboratory allocation to assign samples and measurands to the laboratories of the ring test.

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Figure 18: Database – Structure of ring test – Sample-measurand-laboratory allocation (per sample)

You can now determine which samples are sent to which laboratories to investigate which measurands. This can be accomplished by assigning laboratories one sample at a time, one measurand at a time, for all measurands, or for all samples. The default setting when open-ing the window is per sample (i. e. one sample at a time).

If you choose one of the options per sample or per measurand, simply select the sample or the measurand from the table on the right side and assign the laboratories to each measur-and or sample by double-clicking in the respective cell. By selecting rectangular sections of the table you can easily choose several samples or measurands at once and either assign them to laboratories by clicking on the button Include selected combinations or delete them by clicking on Exclude selected combinations. If you want to allocate all samples or all measurands to all laboratories, simply click on Include all combinations.

It is also possible to assign laboratories to all measurands or all samples. If you choose

across all measurands, any specifications will refer to all measurands, i. e. they will apply to

all measurands that have been assigned to the particular sample under consideration.

If a laboratory does not analyse a certain sample, there will be no entry in the corresponding field.

If only some of the measurands have been assigned to a laboratory (through the sample un-der consiun-deration), the symbol % will be displayed in the field.

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If all measurands have been assigned to a laboratory (through the sample under considera-tion), an X will be displayed in the field.

You can create new assignments or delete existing ones. Any such changes will, however, from now on affect all measurands that have been assigned to the sample in question.

Figure 19: Database – Structure of ring test – Sample-measurand-laboratory combinations (across all samples)

By selecting rectangular sections of the table you can easily choose several samples at once and either assign the combination of these samples and all measurands to laboratories by clicking on the button Include selected combinations or delete them by clicking on Exclude

selected combinations. If you want to allocate all combinations of samples and measurands

to all laboratories, simply click on Include all combinations.

If you choose across all samples, any specifications will refer to all samples, i. e. they will apply to all samples that have been assigned to the respective measurand. Again the sym-bols % and X are used to indicate that only some of the samples have been assigned to the respective laboratory or that all samples have been assigned, respectively.

You can select the columns to be displayed and define the width of the columns with a right mouse button click in the table. Moreover, the whole table or sections of it can be copied to the clipboard and pasted to e.g. e.g. Excel.

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the Report button.

Warning: Please note that deleting laboratory assignments will also delete the corresponding test results!

7.4 Encoding

If the identity of the laboratory must not be revealed, the laboratory name must not appear in the evaluation reports and has to be encoded in a suitable way. Apart from encoding the la-boratories you can also encode the samples. This is useful if it is suspected that the laborato-ries may exchange their analytical results.

7.4.1 Encoding laboratories

All test results contained in the database are registered under an “address” consisting of the four components ring test, sample, measurand and laboratory. To make sure that all data can be correctly attributed at any time, this address must not change3, i. e. the particular la-boratory always has to be indicated by LName. If, however, the identity of the lala-boratory should not be revealed, LName must not appear in the evaluation reports and has to be en-coded in a suitable way. The encoding can be done via Database – Encoding – Laboratories or by clicking onto the button in the main menu.

Any code can be entered in the Code field or laboratory codes can be generated automati-cally by clicking onto this button . Existing codes are thereby deleted irrevocably. Please note that the encoding only applies to the currently selected ring test.

3

This means that, for example, in order to execute an evaluation over various ring tests, a physical laboratory should have the same value for LName in each ring test. If you change LName in the basic tables the allocation will not be disturbed, as LName will be changed for all ring tests and all secondary windows.

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Figure 20: Database – Encoding – Laboratories

7.4.2 Encode test portions

Apart from encoding the laboratories you can also encode the test portions. This is useful if it is suspected that the laboratories may exchange their analytical results. You can get to the encoding via Database – Encoding – Test portions or by clicking the button in the main menu. Test portion codes are composed of up to 8 alphanumeric characters without special characters and spaces.

Therefore the following notations are introduced: Sample denotes different kinds of samples as water sample or soil sample. From each sample, test portions are produced which will be sent to the laboratories or used for the homogeneity analysis.

Encoding can be performed

- manually

- automatically, without homogeneity test portions

- automatically, taking into account the homogeneity test portions (see section 8.2)

Manual encoding

In order to encode the test portions an existing ring test structure is essential, i. e. data for every sample-measurand-laboratory combination of the current ring test must exist. A code can be assigned to each laboratory-sample combination. To encode the test portions unam-biguously, any combination of test portion code and LName must exist only once. A violation of this rule will prompt an Index Error, which can be adjusted by assigning a new code to the

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test portion. Please note that same samples in different laboratories may have same test por-tion codes.

Example:

SName LName Test portion code

Soil2 L01 Sample2 ok

Soil2 L02 Sample2 ok, because Sample2 differs in LName

Soil3 L02 Sample2 invalid, because Sample2 has already

been assigned to Soil2/L02

The test portion codes are entered via a matrix having the samples as columns and the la-boratories as rows. In case of an invalid entry, an error message will be displayed upon leav-ing the edited field and the original value will be restored.

Automatic encoding

For convenience, the test portion codes can be generated automatically. First define the number of test portions that will be generated per sample. If there are as many test portions as participating laboratories, simply enter the number of laboratories. If there are more test portions generated than participating laboratories ( e.g. if a homogeneity and/or stability test is planned or if the remaining test portions will serve as reference material after the ring test), simply enter the total number of test portions that are generated. By clicking on the button , test portions of every sample are randomly assigned to each participating laboratory, and a unique four-digit code is generated for every sample-laboratory combination. If you require the test portion codes to be greater than a certain minimum value, enter this desired mini-mum value in the field First value for test portion code.

If the number of test portions per sample is less than the number of participating laboratories (which should be the minimum number of test portions to generate), ProLab Plus generates the codes on the basis of this minimum number.

If a homogeneity test is carried out, the respective test portions can be encoded by means of the tab Homogeneity test portion encoding or later on under the menu item

Homogenei-ty/Stability.

If originally no homogeneity test portions were included in the number of test portions per sample, but homogeneity and/or stability test portions are nevertheless needed, it is recom-mended to enter the corrected total number of test portions per sample (i. e. the number of test portions for the laboratories + the number of test portions for the homogeneity test + the number of test portions for the stability test) and repeat the encoding of the test portions for the laboratories in order to ensure a random ordering of all test portions.

In the rows Prefix und Suffix additional tokens can be entered, that will precede the code or be attached to the end of the code, respectively.

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Figure 21: Database – Encoding – Test portions

Additionally there is the possibility to display a table with the test portion codes as a report and to print labels with laboratory and sample specifications and optionally a barcode (where ring test name, lab code and test portion code are coded). In order to do this, the label forms in File – Settings – Reports – 75 Label / 77 Label with barcode must be adapted to the re-quired label format.

Figure 22: Label for test portions with and without barcode

7.5 Participating labs and data yet to be submitted

In the menu Database – Participating labs and data yet to be submitted the following infor-mation is stored automatically or can be entered manually:

- Date of sample arrival in laboratories - Date of measurements

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- Date of the ring test organiser’s receipt of test results (reporting date) - Date of importing test results in ProLab

- Persons involved - Comments.

Figure 23: Database – Participating labs and data yet to be submitted

All information can be viewed for the currently opened ring test or all ring tests that have been made accessible (see section 5). Select Current ring test only or All unlocked ring tests. If all that is required is an overview of the laboratories for which no test results have been imported, check Only laboratories with data yet to be submitted.

A report with an overview can be generated listing either all laboratories or only those labora-tories with results yet to have been received or imported.

7.6 Characteristics of measurands

After the ring test structure has been defined, the Characteristics of measurands dialogue box allows further specification of the measurands analysed in the ring test. Reference val-ues, reference standard deviations, measurement units and appertaining multiplication fac-tors can be entered. Additionally two fields Rel. s.d. min and Rel. s.d. max for minimum or maximum values of the relative standard deviations (in %) are available. In mode “L = lim-ited” (see section 10.2.3) these values for the relative standard deviations will be used in the assessment of the laboratories.

Using the button all values – except for the reference value and reference s.d. – are as-signed to the selected measurand in all samples of the ring test. Using the button all values – except for the reference value and reference s.d. – are assigned to all measurands of the current sample. Using the button all values – except for the reference value and

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reference s.d. – are assigned to all measurands in all samples of the ring test.

Figure 24: Database – Characteristics of measurands

If the database already contains units, they can simply be selected from the scroll-down menu. The multiplicator, if included in the database, will automatically be selected by ProLab Plus. New units must always be created via the window Characteristics of measurands. Please click the button next to the Unit field to open the Units window. In the table, the new unit with its corresponding multiplicator can be entered. Please make sure to always leave one “empty” unit, so the declaration of a unit can be suppressed if necessary.

The multiplication factor (multiplicator) is the factor, by which the test results have to be mul-tiplied to obtain the concentration values. The multiplication factor for the measurement unit µg/kg, for instance, is 10-9 = 1E-9, the multiplication factor for the measurement unit % is 10-2 = 1E-2. The entry of this multiplication factor is indispensable to guarantee the correct calculation of the standard deviation according to Horwitz.

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Figure 25: Database – Characteristics of measurands – Units

7.7 Test results

To enter the test results, open the Test results dialogue box from the Database menu. You can choose between entering the test results in a detailed form or in a table.

Depending on the ring test design that was selected under Database – Basic tables – Ring

tests the corresponding number of fields for entering test results is shown.

If no specific design was defined, the number of replicates can be manually determined in the present window. The field Show test results makes it possible to define the number of replicates (1 to 32) and, accordingly, the number of input fields for the test results.

If the ring test is of nested design the corresponding specific order of the test results must be respected. For example, if for three different days two measurement values are available, the design should be nested 3 x 2. There is a maximum of six test results per laboratory, the first two belong to day 1, test results 3 and 4 to day 2 and test results 5 and 6 to day 3. The test results need to be entered in this order.

Besides the fields for the test results, there are State fields as well. You can choose between the following entries in these fields

NN = not detectable, NB = not determinable,

GL = greater than (Greater Limit), NA = not available

These can be used for the assessment of a laboratory. However, a State entry is not re-quired, even when there are no test results available.

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Figure 26: Database – Test results – Detailed form

In the detailed form, the following shortcuts have been implemented, for the sake of conven-ience:

[Ctrl]+ [P] previous sample [Alt] + [P] next sample [Ctrl]+ [M] previous measurand [Alt] + [M] next measurand [Ctrl]+ [L] previous laboratory [Alt] + [L] next laboratory

Apart from the test results, the limit of detection, the limit of determination, the upper limit of the measuring range, the measurement uncertainty and the sample preparation and cal method can be entered as well. In order to assign the sample preparation and/or analyti-cal method for the measurements, they must have been defined beforehand. This is carried out under Database – Definition of analytical methods and sample preparations (see section 7.9).

In the detailed form, additional information on the measurands ( e.g. Unit, multiplicator,…) as entered under Characteristics of measurands (see section 7.6) are also shown. This infor-mation can be changed, but please be aware that these changes are specific to the measur-and measur-and will affect the test results of all laboratories.

Click to get to the table view. The fields for the test results are named M 1, M 2, …, and the fields for state entries are named S 1, S 2,… by default.

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Figure 27: Database – Test results – Table view

In the status bar at the bottom edge of the ProLab window, the description of the current la-boratory, that of the sample and, if applicable, the test portion code are shown at all times.

7.8 Creation of corrected measurands

With ProLab Plus, it is possible to correct the measurement values and to generate a new measurand (the old ones will not be overwritten) in the three following ways:

value correction measurand 3. value) correction (100 100 measurand 2. value correction 100 measurand 1.    

The correction value may either be an already existing measurand or a constant that has to be entered manually.

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Figure 28: Database – Creation of corrected measurands

Enter a name for the new, corrected measurand and click on the Start button to generate the new measurand. A pop-up window will appear where you can enter a description of the new measurand. After saving this description, a second pop-up window will appear where the characteristics of the new measurand, such as unit, multiplicator, reference value, s.d., and minimum/maximum rel. s.d. can be entered.

Figure 29: Pop-up windows after generating a new, corrected measurand

7.9 Analytical methods and sample preparations

Data on the sample preparation (SP) and the analytical method (AM) can be entered in the database in case the influences of SP and AM are to be included in special statistical evalua-tions. Under Database – Definition of analytical methods and sample preparations all possi-ble methods can be entered in two tapossi-bles. An allocation to the actual measurements is car-ried out when entering the test results (see section 7.7).

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Both tables allow entry of a code (ID, only numbers are allowed), an abbreviation (Name, used in the Summary results chart) and a full name (Description).

When defining new methods, click in the first row of the table and enter the corresponding data. ProLab Plus will automatically provide missing entries, so it is sufficient to enter, for in-stance, only the description.

To generate a printable overview, click the Report button above the table; with a right mouse click into the table, other available exportation means can be accessed.