onlabs

1. www.onlabs.com Electronic Lab Notebook

2. Conventional Data Handling • Data is collected from one or more instruments • Calculation and number formatting is done on the chemist notebook. • Data is transferred into the LIMS / System database

3. Complex data structure CONVENTIONAL LIMS STRUCTURE • Through out the years a lot is invested to automate a lab. LIMS systems grow in complexity to match all standards and business requirements. • Two very different data models are mixed on a single system: • Business and warehousing: Client information, invoicing, sample management (warehousing) • Instrumentation, scientific data handling (precision, significant figures), spreadsheet functionality, quality control statistics. • LIMS becomes very complex, expensive and difficult to maintain.

4. HOW Online WorkSheet simplifies any LIMS By carefully analyzing any LIMS system we will find a common pattern on the Lab Bench Level that reflects the production line of a lab. “A simple solution is to separate Business (LIMS) from the production (Lab Bench level - OnWSH)” This simple approach will lead to a clean new Lab Data structure.

5. Online Worksheet Concept The Online WorkSheet is an Electronic Lab Notebook that has been designed to integrate the Laboratory at the Bench level and to standardize all techniques. It handles all complex scientific data requirements with the objective to report only clear and properly formatted data to the database/LIMS system.

6. The advantages of Online WorkSheet on a lab are • Simplifies the complex data schema of a LIMS by delivering only clear and formatted data to the LIMS. • Centralizes all QA/QC at the technique level. • Standardizes any corporate company with a common system at the bench level (common production line, same SOP’s, centralized QC monitoring, etc). • Reduces dramatically LIMS implementation costs. • Reduces LIMS installation timing and minimizes training costs by focusing on user expertise. “The Online WorkSheet is a software design that allows highest flexibility and continuous adaptation to the changing needs of each laboratory and the availability of new solutions and products”

7. ** Browser ** Hmmmm... • Browser • Worksheet • Instrument • QA & Validation • Exporting

8. The OnWSH Browser The OnWSH browser allow a user to quickly and easily navigate through the selected list of worksheets. Worksheet status and header information can be quickly obtain. Other functions of the browser include: Worksheet Creation, Editing, Deletion, Template Management, Filtering and Finding. Technique ID Selected Service Group Header data Browser pane with short file names • OnWSH browser provides color coded worksheet status information: • RED for pending worksheets • GREEN for completed worksheets • BLUE for not linked worksheets • Each of those colors is highlighted (bright color) when work is locked or approved. Selected WSH

9. The select filter starts with the date criteria. Simply select the work month and how many months back should be included. You do not need to enter the whole name to search. For example for “dmasson” simple type “masson” or “dmas” Technique filtering Select filter selects a group of worksheets SQL is an advanced filter, and the criteria is typed as a SQL command Selected work group (Service group) folder

10. Worksheet Templates Select a template and create a new worksheet Templates are used to save a lot of time when creating routine worksheets. Templates are created as a worksheet and then saved as a template and stored in the workgroup folder root directory. When creating a new worksheet, a list of all templates for this workgroup is available as show above

11. ** WSH ** • Browser • Worksheet • Instrument • QA & Validation • Exporting

12. Loading a WorkSheet file A window with six tabs represent each one of the worksheet areas: Header, Sheet, Test, Sample, Pad and Instrument

13. Worksheet statistics OnWSH header Supervisor Notes for whatever… List of all report/sample templates linked to this worksheet (here only one) Analysis method description Log status who did what or who messed it up… The header tab stores all relevant worksheet header data. After creating the worksheet, usually the first thing to do is to enter all general data related to the worksheet, like: chemist, technicians, method used, special notes, etc. Click here to activate the worksheet header

14. OnWSH spreadsheet Excel-like formulas Type your comments Automatic Dups popup True electronic equivalent of a technician’s log book

15. OnWSH test (analysis) tab Decimal precision Technician who locked this column Can’t be modified here. Result column Parameter column Test formula Lowercase is relative to the result column and uppercase is absolute, like Excel. This tab is used to configure the column header (=analysis) in the OnWSH sheet. Each analysis can have many parameters and the relationship between them is given by the formula.

16. OnWSH sample tab Sample ID Sequence ID: Link with the instrument Report number & tag: link with the LIMS QC file The sample tab stores all sample related data. Used to configure the Row Header in the WSH Sheet.

17. OnWSH Memo tab Text formatting like in Wordpad You can drag or insert any object, like a mineralogy picture, excel file, analysis method, etc. The memo tab serves as an text editor or an object container. Remember not to overload the WSH with large files, this it will make access slower.

18. Instrument log tab For auditing purposes, all instrument information, including calibration data is recorded in the WSH log file. The log file data is read only and can’t be modified. The log file stores the information in the exact format the instrument generates it This represents the [Column-Row] where the data was stored in the WSH sheet

19. Scientific number formatting “7.00 means a value in the range 6.995 to 7.005 while 7.0 means a value in the range 6.95 to 7.05” • Powerful formulas, like in Excel • Rounding to the nearest even value • Significant figures handling • Number formatting by ANY range • Detection Limit number truncation Conventional rounding leads to bias error

20. ** Instrument ** • Browser • Worksheet • Instrument • QA & Validation • Exporting • QA/QC

21. Instrument list Online instruments are connected through a RS232 (serial cable) to the computer. This connection is called On-Line because as soon the instruments sends data it is parsed and written directly into the currently selected cell in the worksheet. IMPORT INSTRUMENTS PE Winlab PE Winlab32 Varian SpectrAA Jarell ASH ICAP 61E Perkin Elmer SCIEX Bruker XRF Philips XRF14 Philips PW1480 Philips PW2404 Varian VISTA ICP HILGER Polyvac E984 ICP Leeman ICP Skalar Baird-Moa MassLynx MicroMass DIONEX DX Varian WinMass PC Titrate … And many more … ONLINE INSTRUMENTS Generic Parser Any Balance LECO CS 244 LECO CS 300 LECO CS 400 LECO IR 432 LECO RO 116 Varian 20 AAS Varian 55 AAS Varian SpectrAA PE 1100 PE 1100 HID PE 3110 PE WinLab Unicam 929 METTLER TOLEDO DL50 More instruments added as required … Import Instruments are instruments that at the end of a analysis session generates an file with the analytic data. This file is imported and parsed by OnWSH. Usually this instruments are multi-element types and run in conjunction with an auto sampler.

22. Online LINK Rx terminal to see incoming data Current port configuration The serial port configuration is launched with the setup button. Please refer to the instrument documentation for serial communication settings for the instrument. This string can be sent to the instrument. Used for bi-directional communication OnLINK should be active on the taskbar OnLINK is a application that handles the serial communication between the instrument and OnWSH. This is a module that stays resident in memory (stays always open in the Windows Taskbar).

23. Instrument import Quick preview of the the contents of the instrument file Selected instrument driver used by parser List of all files in the instrument folder. Instrument ID from the instrument database Path of the instrument folder Opens instrument file in a text editor (Notepad) The instrument import dialog is used to browse and select the instrument file to be imported. The file will be parsed by the selected instrument driver and the readings send to the worksheet.

24. Instrument Database Use this field to document the instruments communication properties. The main purpose of the instrument database is to track the calibration and service dates. If one of this dates expired, the Worksheet will warn the user by displaying the instrument properties window. Additional fields are available to store pertinent information. The instrument database is maintained using the OnSETUP module.

25. ** QC & Validation ** • Browser • Worksheet • Instrument • QC & Validation • Exporting

26. Replicate samples Replicates: samples taken at the sample preparation stage. Duplicates: samples duplicated on the worksheet. Used to monitor the precision of a process. Reference samples Standards or reference materials. Blanks (or spikes) Control samples: calibration samples like balance weight, production samples, etc Used to monitor the accuracy of a process. QC Files

27. OnLQC browser QC Header pane QC file (index) pane QC Test pane The OnLQC browser helps to navigate trough all QC files and to edit QC data. QC files are made up by tree groups: QC Header data, QC Test data and QC Raw data (the only one not accessed by the browser). The browser is divided by tree panes

28. Data Chart Selected Chart QC Chart Standard deviation lines Vertical cursor Horizontal cursor Vertical cursor pane Overall statistic pane Reference material pane Status bar information

29. Range control 0% 5% Above 2.51 50% A range control chart for replicate measurements is constructed by calculating a central line or mean range (R ) a warning limit (WL=2.51) and a control limit (CL=3.27). A minimum of 20 range values should be used to construct the range control chart. The plotted value is the absolute( Dup1-Dup2).

30. Range Performance To develop the range performance chart, the mean ranges R are plotted against concentration. Control lines are plotted on the chart in a manner similar to those on the range control chart. Subsequent range values obtained from duplicates run as part of the routine work are plotted on the chart and the same statistical controls apply in this instance as in the range control - 50% of the values plotted should lie below the 0.845R line, only 5% above the 2.51R line and no values above the 3.27R line.

31. Shewhart Chart Hided data point (Green mark) Value out of the chart (Yellow mark) The Shewhart chart plots data concentration over recorded time (sequence). The data is adjusted to the chart window for best fit. With <-> and <+> keys the chart can be zoomed in or out. The StdDev warning limits are: Std+3 = Mean + 3 * StdDev (UCL) Std-3 = Mean - 3 * StdDev (LWL) Std+2 = Mean + 2 * StdDev (UWL) Std-2 = Mean - 2 * StdDev (LCL) Std+1 = Mean + 1 * StdDev Std-1 = Mean - 1 * StdDev

32. QC Check Plots only last 40 values as a reference. However statistic are based on the whole population. Additional control is supported by control limits. Certified Value Distribution Chart A note can be typed for this point to document the type of error or warning. When performing data validation in the worksheet and a QC value is found to be outside the certified rage for the QC then the “QC statistic” window is open. If the user accepts the value then the cell in the worksheet will be highlighted in red to indicate the QC error. The “QC Statistic” window will be opened as a warning-only.

33. Validating data After validating a column (locking the column), the column header becomes GREEN and the cell data becomes read-only When an error is found in a QC cell, the cell is highlighted in RED. Errors could be caused by having the wrong Test Id, the cell value is out of specs for the QC

34. Validation log The TEST tab shows who locked the column Once the data is validated (locked) with a password, it can only be modified by unlocking the column using the same password that was locked with or by using the super-password. Every time a column is lock or unlock the action is logged in the status field in the header tab. User passwords are stored in the database using an encryption technique. This makes the password impossible to read if forgotten and the only way to reset is by setting the value to blank (no password).

35. ** Exporting ** • Browser • Worksheet • Instrument • QC & Validation • Exporting

36. OnWSH data exporting Open the export dialog from the toolbar or the “DATA” menu Yellow cells represent data that was successfully exported. Cells not highlighted with yellow are cells that where not exported DATA Check to overwrite data on the report (database) List of reports linked to this worksheet. Double-clicking opens a read-only view of the report. Check to export all data. Otherwise you need to select the desired cell to be exported Data exporting feedback shows the Test and number of cell exported The worksheet export (transfer) released data to the LIMS database. Many feedbacks are provided for the technician to ensure the transfer was done correctly

37. OnWSH LabWare Interface The worksheet export (transfer) released data to the LIMS database. Many feedbacks are provided for the technician to ensure the transfer was done correctly

38. Lunch it from the chart Exporting QC Charts QC charts can be exported as METAFILES to Excel. The METAFILE format allows the charts the be copied and resized without loosing any detail. This will help create great looking customs reports and documentation. Use copy/paste to copy this chart into an other application

39. **closing** Thank you for your time ! © 2002 by OnLabS HmbH www.onlabs.com Total 39 slides