Waters Data Converter 2 Migrate MassLynx and other CDS Data into Empower

Transcription

1 Waters Data Converter 2 Migrate MassLynx and other CDS Data into Empower 2013 Waters Corporation 1

2 Overview Use Cases for Data Migration/Import Waters Data Converter 2 Use Modes Manual/Auto Basic facts v. 2.1 Technology and Abilities Product Manager: Dr. Rolf Grigat, rolf_grigat@waters.com 2013 Waters Corporation 2

3 Waters Data Converter v.2.1 ( WDC2) 2013 Waters Corporation 3

4 Use Cases for Data Migration/Import 2013 Waters Corporation 4

5 Use Case Standardization Typical CDS standardization scenario 3rd party CDS raw data 3rd party instrument 2013 Waters Corporation 5

6 Use Case Standardization Use Empower to control 3rd party instrument 3rd party CDS raw data 3rd party instrument EMPOWER 2013 Waters Corporation 6

7 User Scenarios - Migration Transfer legacy Raw data into Empower 3rd party CDS raw data 3rd party instrument EMPOWER Client & WDC2 EMPOWER 2013 Waters Corporation 7

8 Use Case 3rd Party Data Utilization Import data to Empower for individual comparison, review or processing 3rd party system raw data 3rd party CDS EMPOWER Client & WDC2 EMPOWER 2013 Waters Corporation 8

9 Use Mode Manual Import Time Share Source 1 Use one dedicated installation for manual uploads One user at a time Legacy data of retired software Source 2 Specific batches Source 3 Very individual import parameter settings WDC Waters Corporation 9

10 Use Mode Automated Import Setup 1 Use background process with preset individual configurations Multiple users in parallel Setup 2 Setup 3 WDC Waters Corporation 10

11 Basic Facts 2013 Waters Corporation 11

12 Basic Facts v.2.1 WDC2 is an add-on to Empower Separate installation Separate release cycle Requires a local Empower Client Supports Empower 2 FR3, FR4, FR5 (& fix for SP H) Supports Empower 3 (& fixes for SR1, FR1, FR2) Personal Workgroup/Enterprise Clients Server 2013 Waters Corporation 12

13 Basic Facts v.2.1 Available in 4 variants Waters Data Converter 2 MassLynx data import Waters Data Converter 2 for ChemStation MassLynx & Agilent ChemStation data import Waters Data Converter 2 for TotalChrom MassLynx & Perkin Elmer TurboChrom/TotalChrom data import Waters Data Converter 2 for Atlas MassLynx & Thermo Atlas chromatography data import Maintenance options for all packages Not included in Empower support plan 2013 Waters Corporation 13

14 Manual and Automated Data Import 2013 Waters Corporation 14

15 Core Functions Manual data import Individual data & directory structures Add to existing sample sets or create new ones Properties mapping to Empower custom fields Automated data import Automated Manual Mode Add to/create sample sets Properties mapping Scan directories for data Define parameter sets per directory 2013 Waters Corporation 15

16 WDC2 Manual Use Browse for data or folders with data Drag & drop data Import to Empower If needed, change project, edit parameters Import log Status 2013 Waters Corporation 16

17 Auto Mode Scan directory Set up for one data format Will be scanned by WDC2 in Auto Mode WDC2 scan configuration per directory Set target Empower project (custom) field mapping data import options Sample Set creation strategy WDC 2 Auto Mode 2013 Waters Corporation 17

18 Use Case Auto Mode External Systems Empower Workgroup/Enterprise (or Personal) WDC 2 Auto Mode Imported Data 2013 Waters Corporation 18

19 WDC2 Auto Mode Scan configurations Data are scheduled for import Import according to parameters Start/Stop scanning for data Reporting as configured 2013 Waters Corporation 19

20 Technology and Abilities 2013 Waters Corporation 20

21 Modules Overview Conversion Engine in SDMS file capture File capture SDMS Conversion Engine Original Standard format New use of Conversion Engine for Empower WDC 2 User Interface Emp. upload WDC 2 Empower imported 2013 Waters Corporation 21

22 Conversion Modules *.raw folders Import Filters Empower Interface *.d folders MassLynx Chem- Station WDC 2 Empower *.raw files TotalChrom in memory imported TotalChrom Installation Empower version & FR specific 2013 Waters Corporation 22

23 Data Import 1 - Data 3rd party data WDC2 EMPOWER Import Filters internal binary format Empower Interface Injection 1 Channel 2 Individual upload Channel 3 import options Channel Waters Corporation 23

24 Data Import 2 Metadata 3rd party data WDC2 EMPOWER individual binary file formats Jobcode 123abc Jobcode MiscINFO Rev2 123abc MiscINFO BottleNo Rev2 1:28 BottleNo Instrum.ID 1:28 AcquSys5 Instrum.ID SigDescr AcquSys5 MS SigDescr Username MS Jeff Username Methodfile Jeff MethMS3 Methodfile MethMS3 SampleNo SampleDesc VialNum Instmodel Channel Submitter MSMethod 33cdef Test1 D MS TIC Joe AcquStd Import Filters Individual import options Internal list of common Properties internal binary format ObjectName Objecttext ContainerName ObjectType Ion Mode Ion Polarity CreationDate DataInterval BottleNo Instrum.ID SigDescr Username Methodfile Empower Interface Property field mapping rules 2013 Waters Corporation abc Rev2 C:\QC\... LCMS ESI + 03/04/ :28 AcquSys5 MS Jeff MethMS3 Plus individually imported tags Project fields & custom fields SampleID Instrument Date Method Username 123abc AcquSys5 03/04/05 MethMS3 Jeff

25 Data Consistency Features 3rd party data WDC2 Empower Interface EMPOWER Sample Operator Jeff Result Sample Lab Jeff Result Sample Owner Jeff Result Department QC Unit Lab024 Sample... Instrument Date Method Operator Lab Owner Result Dept Unit Jeff? Jeff? Jeff? QC Lab024 Mapping: 1st use value in Operator If empty, use value in Lab If empty, use value in Owner Value in Dept plus _ plus value in Unit Project fields & custom fields Sample User Result... xx Jeff yy LabUnit QC_Lab024 Fixed value WDC2 Imported WDC Waters Corporation 25

26 Example Data Review Review real data, then map property to Empower custom field Jobcode MiscINFO BottleNo Instrum.ID SigDescr Username Methodfile 123abc Rev2 1:28 AcquSys5 MS Jeff MethMS3 Project fields & custom fields Name Instrument CalibDate Barcode Method Username $Caldate $Barcode Internal list of common properties & specific ones from loaded data Editable remarks Values off loaded data 2013 Waters Corporation 26

27 Summary Waters Data Converter 2 is an Add-On to Empower 2 and 3 Allows importing of data from MassLynx ChemStation TurboChrom/TotalChrom Atlas Allows dedicated work in Manual Mode Serves as a background tool for a group of users in Auto Mode 2013 Waters Corporation 27

28 2013 Waters Corporation 28