P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED.

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P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED

Transcript of P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED.

Page 1: P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED.

P008/60A

11.6.2015

CLARITY CHROMATOGRAPHY SOFTWARE

USER TRAINING - ADVANCED

Page 2: P008/60A 11.6.2015 CLARITY CHROMATOGRAPHY SOFTWARE USER TRAINING - ADVANCED.

Customization

Calculations

Using Sequences

Export Data

Archive and Restore

Productivity skills

Advanced Features

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User settings

User settings are stored in individual users desktop

*.dsk files.For this reason they are set in the instrument window

and not in the main Clarity window

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Overlay

In overlay, several chromatograms can be compared. Maximum number can be set in

user options

Summary table displays results for

several chromatograms or

signals simultaneously

Overlay could be activated also from File open

dialog

Ctrl + click will hide/show the

signal

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Overlay mode – 3D View

Arange overlaid chromatograms

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Additional Labels

Text Label and Linesfor legends and arrowsChromatogram/Create

Label

Label Assignement

Math operati

ons

Moving and Scaling of Chromatograms – active

only in Overlay

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Table customization options

Context menu

invoked by right mouse click in table

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User Columns – Relative Retention Times

Setup User Column using

the Special Values,

Compound option

Calculated RRT

Force Peak Identificati

on

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Common columns in Summary table

Independent setting of columns Common – for all compounds Summary – compound specific

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Summary table options

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Colored peak area in chromatogram

Peaks in calibration can have a color assigned.

When these peaks are identified in

chromatogram they will be automatically colored

Peak selected in result table will be highlighted in

chromatogram line color

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Colored peak area in chromatogram

Highlight peaks selected in

Results table or Graph (signal color used)

Peak Color set in Calibration file

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Graph display properties

Context menu invoked by right

mouse click in the graph in

Chromatogram window

Graph properties

settingAxis

properties setting

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Chromatogram display options

Signal scaling

Individual Signal settings

Scale and Move

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Chromatogram display options

Auxiliary Signals options

Gradient display options

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Customizing toolbars

Invoked by right click in toolbar area

Reset Allrestores original

settings

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Report Setup - logo

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Report Setup – tiled signals

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Customizable order of Report sections

Right click the tab and adjust its

position

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Performance parameters

Calculation type

Values used for Capacity ratio and Efficiency

calculation

Performance tab

Results,Performance Parameters

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Noise monitoring

Actual noise monitoring in the Data Acquisition

window

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Noise and Drift

Drift and Noise can be used in User

column calculations

Drift and Noise displayed for selected

intervals in Result table header

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Calculations

ISTD calculations Normalized % calculations Groups

calibration of peak group like single compound example - isomers (xylen)

Scale factor recalculation of result to other units

Uncalibrated response quantification of unidentified peaks using Uncalibrated

response factor

Injection volume Injected volume correction for manual injection in GC

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ISTD calculations

Up to 5 ISTD compounds allowed in

calibration. If the conditions are not

met, no results will be calculated

ISTD compound amount in standard

ISTD compound amount in

sample

ISTD calculations are performed:a) Amount for ISTD is set in both calibration and sampleb) both are zero

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Normalized % calculations

Amount % column gives the normalized % if all integrated peaks are

calibrated and Sample amount is zero

Calculation type NORMjust checks those

conditions are met, calculations are same as

for ESTD

If Sample amount is non-zero, it will replace the sum in the Amount column and serve as a

base for Amount % calculation

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Groups

1st stepAdding

peaks to a group in the

integration table

2nd stepSetting a Group in Calibration table.

The compound name and amount is set as

for ordinary peaks

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Scale Factor and Uncal. Response

Scale factor and Units after scaling:Multiplies values in Amount column

and changes the units in column header.

Method specific parameter, multiplies also the entered Sample Amount

value

Unidentified peaksUsed for quantification of unidentified compounds. For universal response

detectors (ELSD, FID, RI)

Dilution:Multiplies values in Amount column.Sample specific parameter (entered

from Sequence or Single Analysis window).

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Injection Volume Correction

Setting Default Injection

Volume in calibration

Setting Injection

Volume for sample and

standard

Default Injection Volume must be set first in calibration and Injection Volume set in standards before calibrating Supposes linear detector response Can lead to incorrect results, if used improperly

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Calibration

Command Calibration/Show

Details displays data used for selected level

Residual sum of deviation squares

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Calibration options

Calibration curve check

Failure displayed in the Peak Type

column in Result Table

New Calculation types

NORMSTDADD

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Retention indexes, LOD, LOQ

Column for Retention (Kovats) indexes is hidden in default

settings.Use setup columns to display

it. Amounts lower then specified

LOD or LOQ limits are marked in

Peak type column

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Defines a series of samples to be measured Essential for working with autosamplers

For controled autosamplers the Vial number and Injection volume are loaded from this table

Allows modifications during a run for not yet processed samples Simply add samples by filling any field in the

last empty row. Other fields will be copied from previous. Several samples can be added by copying from a table

Allows the import of sample data from text files Allows reprocessing of last measured sample set

Sequence table

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Sequence table window

Start, End vial and Injections number. Several vials and/or injections defined on single

row

File name, automatic %variables

for SV, EV, IV

Automatic recalibratio

n from sequence

Individual Post-Run

settings for each row

ImprovedRow

status indicator

Use row, add new rows

during sequence run

Tooltip with actual file name

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Sequence options

Pasive sequenceClarity only expects Start signal,

analysis time is set on autosamplerActive sequence

Clarity sends a Ready signal to autosampler and waits for Start

signalAS control (Active sequence)

Autosampler injects according to SV, EV, IV and

Inj. Volume in sequence table

Editation of template method used on selected

row

Pasive sequenceClarity only expects Start signal,

analysis time is set on autosampler

Active sequenceClarity sends a Ready signal to autosampler and waits for Start

signalAS control (Active sequence)Autosampler injects according

to SV, EV, IV and Inj. Volume in sequence table

Initial value for %n

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Sequence controlRun sequence

starts complete sequence (resets the status)Resume sequence

continues from last injection

Status of the sequence. Stored at Pause, Abort, Stop

Can be changed by Edit/Reset Status for selected rows

Repeat Injection and Skip Vial only in active sequence

Stop sequence will stop the sequence run.

Repeated Stop will stop the current analysis

Check Sequence

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Sequence import

Assign the respective fields to be imported

Only Start vial (SV) and file name must be set (marked in bold)

Other fields will be filled by default values

Select the file to import

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Sequence

Bypass to perform run without injection for startup and shutdown methods

New file name variables

%P – Project%s – Sequence%J – Method

New columns:• Include in SST – perform SST

test when injection is finished

• Stored Calib. – chromatogram will be opened with stored calibration

• Close All – close all currently opened chromatograms in overlay to prepare for next summary report

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Bracketing and Standard Addition

Calibration and Sequence Usage

Clone calibration at each Sequence start

Standard AdditionBracketing

This calibration will be used with Calibration used as

specified by user

Copy of the Example Calibration will be created according to Sequence options,

Calibration and Sequence Usage

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Export data to other programs to prevent typing errors Simple Copy and Paste (Ctrl C – Ctrl V)

Export Data settings common for manual export from chromatogram window automatic export from postrun at the end of

each run automatic export by batch reprocess of

chromatograms or sequence Export of chromatograms in common formats

Export data

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Export data - simplest

Copy a selected part of table using Copy (Ctrl C) and Paste

(Ctrl V)

Copy a picture to MS Office (including

labels) via Clipboard or store it in *.emf

format

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Export data - optionsExport

automatic – Postrun, Export datamanual – from Chromatogram

windowbatch - from Analysis/Batch

Export time/signal data pairs

(import to other programs – for

example graphics)

Headers:Column headers and chromatogram info

Full format:Filename, date and time

before each rowblank field = actual chromatogram

name + .txt extensionPath can be used

All exported data are in single file

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Export data - example

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Export of data in Excel (.xls) format

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Print Report style from Report Setup dialog will be used do not forget to switch off the Overlay mode

Export Reprocess of chromatograms according to instrument method Reprocess whole sequence Electronic signature

Batch processing

Export according to Settings - Export Data

File typeChromatograms

Calibration standards

Sequence Files

Open exported data in selected

program

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To reduce the data size, compressed archive *.dgz

files should be used

*.dgz archives always replace all data

(files deleted from project will be also deleted

from the archive during archiving).

It is advantageous to archive whole projects –

should be considered when planning project

structure

Archiving and Backup

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Archive data

Archive and Restore for copying or moving selected file types

Without compressing = original format and structure Compressed *.dgz archives = single file, always created

new (no appending!!)

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Clarity – Perform postrun

Dialog will appear only if nothing is filled in or when

invoked from menu.

Sequential opening of chromatograms

Icon to perform postrun actions (Use Customize to reveal)

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Shortcuts – command locking

Ctrl while invoking command will lock it for repeated use

Ctrl while invoking command will lock it for repeated use

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Most popular shortcuts

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Tables - function Fill series Sequence

Calibration

Gradient Both numeric and text fields

Fill Series

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Force Peak Identification

Select new Peak

Identification

Name peaks without calibration file

Override identification by calibration

Name peaks without calibration file

Override identification by calibration

Force Peak Identificati

on

Select Peak to Force

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