introduction to a scientific data management system in ... · pdf filelast altered: monday,...

©2013 Waters Corporation 1

Introduction to a Scientific Data Management System in NuGenesis 8


Agenda

Overview of the key capabilities of NuGenesis 8 – SDMS

– ELN

– Laboratory Inventories

– Software Integration

– Workflow Management

– Sample Management

– Compliance

This workshop will provide a platform for more in-depth information in the other ELN and SDMS sessions in this track.


A Typical Laboratory Workflow

1. Test Request and Sample Management

2. Test Preparation and Specification Management

3. Test Execution

4. Data Processing and Capture

5. Result Transfer and Reuse

6. Review and Approval

7. Creation of Certificate of Analysis/Reports

8. Data Management


Test Request and Sample Management

Manage Test Request, Samples, and Results

Track Samples Through Your Labs

User Centric Approach


Typical Laboratory Workflow – Test Request and Sample Management

LIMS - ERP

Supervisor Assigns Test

NuGenesis 8

Analyst Gets Specs and Method

Instrument Software (e.g. CDS, MS)


Test Request and Sample Management – Samples, Tests, Results

Test Request

Header Information: Product, Type, Batch, ...

Sample 1

Sample 2

Result 1

Result 2

Result 3

Result 4

Test 2

Test 3

Test 4

Test 1


Typical Laboratory Workflow – Test Preparation/Specification Management

LIMS - ERP


NuGenesis 8


Analyst Checks Instrumentation

Analyst Prepares Sample

Analyst Sets up Tests



Test Preparation and Specifications - Electronic Lab Execution Methods

SOP

Data Entry


Test Execution - Direct Transfer of Data to Document


Typical Laboratory Workflow – Test Execution

LIMS - ERP


NuGenesis 8






Analyst Runs Test


Integration with Laboratory Instruments


Typical Laboratory Workflow – Data Processing and Capture

LIMS - ERP


NuGenesis 8






Analyst Runs Test

Analyst Processes and Transfers Data


Data Processing and Capture – Print Capture

Print Project Printer

Source Process Storage

Metadata Catalogue - like Windows printer - template based metadata extraction

- interaction possible - automated PDF generation (optional)

... ...


Data Processing and Capture – File Capture

File Project Agent

Metadata Catalogue - fully automated - rule based metadata extraction for ASCII files - metadata via format specific data adapter

- from content of PDF files - conversion possible

...

010010010010010 010010010010010 010010010101000 100100101110100 100101001001001 000100100100100

Source Process Capture


Typical Laboratory Workflow – Result Transfer and Reuse

LIMS - ERP


NuGenesis 8






Analyst Runs Test


Analyst Selects Results for Reuse

Calc Results and Compare to Specs


Result Transfer and Reuse – Find Your Data

Content Search for Reports or Raw Data

Select Stored Data for Transfer to Documents

Automate Population of Documents

Perform Further Calculations


Searching by Meta Data


View Data Without Original Software

Gel Images

HPLC

Mass Spec NMR


View Data With InSpector


Reuse Report Content


Quantify Sample Report MassLynx 4.1

Dataset: C:\Daten\2006_003.PRO\intervetapciFges.qldSignature: Not signedLast Altered: Monday, March 13, 2006 18:38:30 Eastern Standard TimePrinted: At Monday, March 13, 2006 18:39:07 Eastern Standard Time

By WATERS-62X73KYU\Micromass (Mass Spectrometer Instrument)

Name: intervetapci060309055, Date: 10-Mar-2006, Time: 02:52:52, ID: , Description: F 5000

PMT

min2.00 4.00

%

0

100

F1:MRM of 3 channels,AP+734.55 > 174.1

3.217e+006PMT1.62

242364.912.42e5

12

#12

NameISTDPMT

RT1.621.62

Area329714

2022242

Sec.Area

242365

Response329713.625

6.133

Detecti...bbbb

ng/g1

4739

%Dev16.3-5.2

Ion Ratio

8.34

Name: intervetapci060309056, Date: 10-Mar-2006, Time: 03:01:01, ID: , Description: Acetonitril

ISTD

min2.00 4.00

%

0

100


2.506e+0040.32ISTD1.62

935.589.36e2

PMT

min2.00 4.00

%

0

100


1.042e+0050.32

PMT1.62

3626.743.63e3

PMT

min2.00 4.00

%

0

100


1.361e+0040.32

PMT1.62

437.764.38e2

12

#12

NameISTDPMT

RT1.621.62

Area936

3627

Sec.Area

438

Response935.577

3.876

Detecti...bbbd

ng/g0

2993

%Dev-99.7

Ion Ratio

8.28

Page 16 of 20

Result Transfer and Reuse – Reusing the Data in SDMS

No transcription or cut and paste or checking

Apply on printed reports with the same layout

Automation of calculations in destination document

Subject Analyte Value

1232-C1 CQ102 13,27 1232-C2 CQ102 14,89 1232-U1 CQ102 12,72 1232-U2 CQ102 13,04 1232-C3 CQ102 13,49 1232-U3 CQ102 14,13





PMT

min2.00 4.00

%

0

100


3.217e+006PMT1.62

242364.912.42e5

12

#12

NameISTDPMT

RT1.621.62

Area329714

2022242

Sec.Area

242365

Response329713.625

6.133

Detecti...bbbb

ng/g1

4739

%Dev16.3-5.2

Ion Ratio

8.34


ISTD

min2.00 4.00

%

0

100


2.506e+0040.32ISTD1.62

935.589.36e2

PMT

min2.00 4.00

%

0

100


1.042e+0050.32

PMT1.62

3626.743.63e3

PMT

min2.00 4.00

%

0

100


1.361e+0040.32

PMT1.62

437.764.38e2

12

#12

NameISTDPMT

RT1.621.62

Area936

3627

Sec.Area

438

Response935.577

3.876

Detecti...bbbd

ng/g0

2993

%Dev-99.7

Ion Ratio

8.28

Page 16 of 20





PMT

min2.00 4.00

%

0

100


3.217e+006PMT1.62

242364.912.42e5

12

#12

NameISTDPMT

RT1.621.62

Area329714

2022242

Sec.Area

242365

Response329713.625

6.133

Detecti...bbbb

ng/g1

4739

%Dev16.3-5.2

Ion Ratio

8.34


ISTD

min2.00 4.00

%

0

100


2.506e+0040.32ISTD1.62

935.589.36e2

PMT

min2.00 4.00

%

0

100


1.042e+0050.32

PMT1.62

3626.743.63e3

PMT

min2.00 4.00

%

0

100


1.361e+0040.32

PMT1.62

437.764.38e2

12

#12

NameISTDPMT

RT1.621.62

Area936

3627

Sec.Area

438

Response935.577

3.876

Detecti...bbbd

ng/g0

2993

%Dev-99.7

Ion Ratio

8.28

Page 16 of 20





PMT

min2.00 4.00

%

0

100


3.217e+006PMT1.62

242364.912.42e5

12

#12

NameISTDPMT

RT1.621.62

Area329714

2022242

Sec.Area

242365

Response329713.625

6.133

Detecti...bbbb

ng/g1

4739

%Dev16.3-5.2

Ion Ratio

8.34


ISTD

min2.00 4.00

%

0

100


2.506e+0040.32ISTD1.62

935.589.36e2

PMT

min2.00 4.00

%

0

100


1.042e+0050.32

PMT1.62

3626.743.63e3

PMT

min2.00 4.00

%

0

100


1.361e+0040.32

PMT1.62

437.764.38e2

12

#12

NameISTDPMT

RT1.621.62

Area936

3627

Sec.Area

438

Response935.577

3.876

Detecti...bbbd

ng/g0

2993

%Dev-99.7

Ion Ratio

8.28

Page 16 of 20





PMT

min2.00 4.00

%

0

100


3.217e+006PMT1.62

242364.912.42e5

12

#12

NameISTDPMT

RT1.621.62

Area329714

2022242

Sec.Area

242365

Response329713.625

6.133

Detecti...bbbb

ng/g1

4739

%Dev16.3-5.2

Ion Ratio

8.34


ISTD

min2.00 4.00

%

0

100


2.506e+0040.32ISTD1.62

935.589.36e2

PMT

min2.00 4.00

%

0

100


1.042e+0050.32

PMT1.62

3626.743.63e3

PMT

min2.00 4.00

%

0

100


1.361e+0040.32

PMT1.62

437.764.38e2

12

#12

NameISTDPMT

RT1.621.62

Area936

3627

Sec.Area

438

Response935.577

3.876

Detecti...bbbd

ng/g0

2993

%Dev-99.7

Ion Ratio

8.28

Page 16 of 20





PMT

min2.00 4.00

%

0

100


3.217e+006PMT1.62

242364.912.42e5

12

#12

NameISTDPMT

RT1.621.62

Area329714

2022242

Sec.Area

242365

Response329713.625

6.133

Detecti...bbbb

ng/g1

4739

%Dev16.3-5.2

Ion Ratio

8.34


ISTD

min2.00 4.00

%

0

100


2.506e+0040.32ISTD1.62

935.589.36e2

PMT

min2.00 4.00

%

0

100


1.042e+0050.32

PMT1.62

3626.743.63e3

PMT

min2.00 4.00

%

0

100


1.361e+0040.32

PMT1.62

437.764.38e2

12

#12

NameISTDPMT

RT1.621.62

Area936

3627

Sec.Area

438

Response935.577

3.876

Detecti...bbbd

ng/g0

2993

%Dev-99.7

Ion Ratio

8.28

Page 16 of 20

Average 13.59


Typical Laboratory Workflow – Review and Approval

LIMS - ERP


NuGenesis 8






Review and Approval by Peers/Manager



Analyst Runs Test



Review and Approval – Review-By-Exception

Result correct?

Result not modified?

OOS?

Who is responsible?

Result signed?

Reagents fit-for-use?

Instruments fit-for-use?


Review and Approval – Request for Signature Sent to Manager

Weight conformity for Batch 264547 for Approval

please could you approve these weight conformity results for Batch 264547


Typical Laboratory Workflow – CoA Creation/Reporting

LIMS - ERP


Creation of CoAs and Reports

NuGenesis 8









Analyst Runs Test



CoA Creation/Reporting – Reporting

Analytical Report for Test Request

Persistent Report for All Test Documents

Allows Adding Custom Reports

CoA Creation


Reporting


Typical Laboratory Workflow – Data Management

LIMS - ERP


Creation of CoAs and Reports

NuGenesis 8






Analyst Transfers Results for Reuse


Data is Archived and Managed


Analyst Runs Test



Data Management – Closing the Data Lifecycle


Data Management – Data Lifecycle

Data Retention can be Enabled on a Project

Flexible Retention Policies

Complete Manual or Automatic Deletion After Expiration

Legal Holds will Prevent Any Change or Deletion

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Benefits of NuGenesis 8

1. Connects science to business - by managing data flow between lab and business systems

2. Increases laboratory workflow efficiency - by a single point solution

3. Provides quick and easy data accessibility - through the integrated database

4. Facilitates product development and delivery - by improving collaboration

5. Serves as long-term solution for data management - with record retention policies

6. Reduces waste and variability - by standardizing information management


How would this sit in your lab?

1. What would happen if you lost your data?

2. What would happen if your data was wrong?

3. What prevents you starting a project like this?


Questions?