waters data converter 2 · ©2013 waters corporation 2 overview use cases for data migration/import...

©2013 Waters Corporation 1

Waters Data Converter 2

Migrate MassLynx and other CDS Data into Empower


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, [email protected]


Waters Data Converter v.2.1

(= WDC2)


Use Cases for Data Migration/Import


Use Case Standardization

Typical CDS standardization scenario

raw data

3rd party CDS

3rd party instrument


Use Case Standardization

Use Empower to control 3rd party instrument

raw data

EMPOWER

3rd party CDS



User Scenarios - Migration

Transfer legacy Raw data into Empower

EMPOWER Client & WDC2

raw data

3rd party CDS

EMPOWER



Use Case 3rd Party Data Utilization

Import data to Empower for individual comparison, review or processing

EMPOWER Client & WDC2

raw data

3rd party CDS

EMPOWER

3rd party system


Use Mode Manual Import – Time Share

Use one dedicated installation for manual uploads

One user at a time Source 1

Source 2

Source 3

Legacy data of retired software

Specific batches

Very individual import parameter settings WDC2


Use Mode Automated Import

Use background process with pre-set individual configurations

Multiple users in parallel

WDC2

Setup 3

Setup 2

Setup 1


Basic Facts


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


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


Manual and Automated

Data Import


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


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


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


Use Case Auto Mode

External Systems

Empower Workgroup/Enterprise

(or Personal)

WDC 2 Auto Mode

Imported Data


WDC2 Auto Mode

Scan configurations

Data are

scheduled for import

Import according to parameters

Start/Stop scanning for data

Reporting as configured


Technology and Abilities


Conversion Engine

SDMS

Modules Overview

Empower

File capture

User Interface

Emp. upload

Conversion Engine in SDMS file capture

New use of Conversion Engine for Empower WDC 2

WDC 2

Original

Standard format

imported

Conversion Engine


Conversion Modules

Empower

*.raw folders

imported

WDC 2 MassLynx

Chem- Station

TotalChrom

Import Filters

Empower Interface

*.d folders

*.raw files

TotalChrom Installation

in memory

Empower version & FR specific


Data Import 1 - Data

EMPOWER WDC2

internal binary format

Individual

import

options

3rd party data

Import Filters

Empower Interface

upload

Injection 1

Channel 2

Channel 4

Channel 3


Data Import 2 – Metadata

EMPOWER WDC2

Property –

field mapping

rules

Individual

import

options

3rd party data

Import Filters

Empower Interface

= = = = = = = =

ObjectName Objecttext ContainerNameObjectType Ion Mode Ion Polarity CreationDate DataInterval

individual binary file formats

= 123abc = Rev2 = 1:28 = AcquSys5 = MS = Jeff = MethMS3

Jobcode MiscINFO BottleNo Instrum.ID SigDescr Username Methodfile

internal binary format = 123abc

= Rev2 = 1:28 = AcquSys5 = MS = Jeff = MethMS3


SampleNo SampleDesc VialNum Instmodel Channel Submitter MSMethod

= 33cdef = Test1 = D12 = 1290 = MS TIC = Joe = AcquStd

Project fields &

custom fields

SampleID Instrument Date Method Username

AcquSys5 03/04/05 MethMS3 Jeff

Internal list of common “Properties”

Plus individually imported tags

123abc Rev2 C:\QC\... LCMS ESI + 03/04/05 25

BottleNo Instrum.ID SigDescr Username Methodfile

= 1:28 = AcquSys5 = MS = Jeff = MethMS3

123abc = = = = =


Data Consistency Features

Sample = ... Instrument = Date = Method = Operator = Lab = Owner = Result = ... ...

Dept = QC Unit = Lab024

Sample = Operator = Jeff Result =

Sample = Lab = Jeff Result =

Sample = Owner = Jeff Result =

Sample = xx User = Jeff Result = yy

...

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” Department = QC

Unit = Lab024

LabUnit = QC_Lab024

Fixed value “WDC2”

Imported = WDC2

Jeff ? Jeff ? Jeff ?

EMPOWER WDC2 3rd party data Empower Interface

Project fields &

custom fields


Example Data Review

Review real data, then map property to Empower custom field

Project fields &

custom fields

Name Instrument CalibDate Barcode Method Username

$Barcode

= = = = = =


= 123abc = Rev2 = 1:28 = AcquSys5 = MS = Jeff = MethMS3

Internal list of common properties & specific ones from loaded data

Editable remarks

Values off loaded data

$Caldate


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

waters data converter 2 · ©2013 waters corporation 2 overview use cases for data migration/import...

Documents