Agilent Technologies 1260 Infinity User manual

Agilent Technologies
Agilent 1260 Infinity
Purification Solution
Operator's Quick
Reference Guide

Purification Solution - Operator's Guide
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© Agilent Technologies, Inc. 2016
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Manual Part Number
M8368-90000 Rev. C
Edition
11/2016
Printed in Germany
Agilent Technologies
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76337 Waldbronn
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Purification Solution - Operator's Guide 3
In This Book
In This Book
This manual contains instructions for Operators on how to use the Automated
Purification software.
1 The Role of the Operator
This chapter describes the role of the user of the Automated Purification
Software in Easy Prep mode.
2 Executing a Purification Task
This chapter gives instructions for users with Easy Prep user rights on how to
execute a Purification Task.

4 Purification Solution - Operator's Guide
Contents
Contents
1 The Role of the Operator 5
2 Executing a Purification Task 7
Configuring a new task 8
Running a task 9
Processing partial data and cloning tasks 10
Reviewing the analytical results 12
Reviewing the purification results 13
Forcing the Purification Task to Close 14

5
Purification Solution - Operator's Guide
Agilent Technologies
1
The Role of the Operator
This chapter describes the role of the user of the Automated Purification
Software in Easy Prep mode.
Operators of the Automated Purification Software work in Easy Prep mode to
perform purification runs. If the samples have not been analyzed on a separate
analytical instrument, the purification runs include the analytical runs.
Typically, the Operators have been trained by a Method Developer on the work
environment and operating procedures.
The Operators:
•provide the samples for use in the purification run
•know the analytical and preparative instrument and operating system
settings that apply to their samples. These have been set up in the
purification software by a Method Developer.
•set up a purification run in the purification software by creating a
purification task based on a matching task template prepared by a Method
Developer. Operators can also create a new task as a clone of an existing
task, for example, to re-run a stopped task, to run samples of the original
task that have not yet been run, or to repeat a system suitability task.
•complete the missing information (analytical data source,
analytical-to-preparative vial mapping, and injection volume) to run the
task.
•run the purification task and review the results.
For Operators, access to the Automated Purification Software is limited to the
main purification workflow user interface (the purification task screen) and
its key settings (system definition, analytical and preparative run). While in
the purification task screen, ChemStation functionality is inaccessible to avoid
unintended interference. The ChemStation screen reports are thus not
suitable for Operators.
If Operators get stuck or need help, they should contact a Method Developer.

6 Purification Solution - Operator's Guide
1 The Role of the Operator
In This Book

7
Purification Solution - Operator's Guide
Agilent Technologies
2
Executing a Purification Task
Configuring a new task 8
Running a task 9
Processing partial data and cloning tasks 10
Reviewing the analytical results 12
Reviewing the purification results 13
Forcing the Purification Task to Close 14
This chapter gives instructions for users with Easy Prep user rights on how to
execute a Purification Task.
A purification task in the Automated Purification Software describes all
settings of a purification experiment, including its results, once the
experiment is complete.
Purification tasks are managed in the purification task screen, which is thus
the center for the execution of all purification work:
•configuration of the purification job (samples and operating setup)
•submission of the analytical and preparative runs (including progress
indication and stop)
•review and modification of the target identification from the analytical run
•review and export of the purification results (collected fractions)
1In the ChemStation Method and Run Control view, open the Purification menu
and select Tasks.
The purification task screen is shown, displaying in its upper region a list of
all tasks in the selected task folder. Details of the selected task (setup and
result info) are displayed in the lower region. By default, the configuration
tab with the Select System page of the selected task is displayed.

8 Purification Solution - Operator's Guide
2 Executing a Purification Task
Configuring a new task
Configuring a new task
1Click Add Task to select a task template or choose to clone the currently
selected task and create a new purification task.
2Verify that the Analytical System matches the system providing the analytical
run, and the Preparative System that corresponds to the current preparative
instrument configuration.
The current instrument configuration of the preparative system is
displayed in the table.
If one of the systems does not match, choose another template to create
your task. If there is no matching template, ask the Method Developer to
create one.
3Select the Analytical Run page and specify the source of the analytical run:
•To run an analytical scouting sequence on a combined analytical and
preparative system, select an existing ChemStation sequence or prepare
a sequence from scratch. Select the path and name of an existing
ChemStation sequence in the text input field or click Edit sequence to
start editing a sequence from scratch or modifying a selected sequence.
You can also import a sequence as a text (CSV or TXT) file.
•To use analytical results that have already been acquired on a
stand-alone system, specify the location of the source files (result set or
single sample results) in the text input field.
Select data files using the Process? checkbox in the sequence table.
4Select the Preparative Run page and specify a Preparative base method.
5Set the preparative vial locations and injection volumes. You may want to
apply a location mapping for vial locations. Specify the injection volume for
the first sample and use the fill-down option to apply the same volume for
other samples.

Purification Solution - Operator's Guide 9
Executing a Purification Task
2
Running a task
Running a task
1Click Run in the top toolbar of the Task dialog box to start the
purification run.
If the analytical sequence has not yet been run, it will be submitted to the
ChemStation run queue.
If the analytical run is already available, the process will start with the
evaluation of the analytical results.
The buttons in the top toolbar also allow you to stop a run in progress or
unschedule a scheduled run that has not yet started. If the run queue is
paused (for example, after a stop) you can resume it using the Resume
item in the Ta sk toolbar. Note that the / items can be helpful if the run
gets stuck or lost for any reason.
The run progress is displayed in the bottom line of the Ta s k screen. Run
state events and important processing events are displayed in the Logbook
tab.
If you stopped your run, or your run was aborted (by the instrument), call
your method developer. He can create a clone of your aborted task to enable
you to process the missed samples.

10 Purification Solution - Operator's Guide
2 Executing a Purification Task
Processing partial data and cloning tasks
Processing partial data and cloning tasks
You are dealing with partial data under the following conditions:
•You stopped your analytical or preparative run, or your run was stopped
due to an instrument error (such as solvent bottles running empty). In such
a case, some of the planned samples were executed but others were missed.
•You have a large set of analytical data from a separate analytical
instrument, but you want only a subset of it to be purified in one task. For
example, your preparative plate does not have the capacity to hold all
samples.
Task cloning (or copying) means creating a new task with the same settings
and analytical data as another task. The preparative results are not cloned.
1Select the task to be cloned in the task list of your purification task dialog
box.
2create a new task as a clone of the selected task by choosing Add clone of
currently selected task in the Add Purification Task dialog box.
If you want to repeat a (previous) system suitability test run, you can clone the
system suitability test task and let it run.
If your analytical run was stopped or aborted, the successfully processed
samples remain as analytical result data with the task. Purification proceeds
with those samples only.
1If you want to process the remaining/missed samples from such a task,
create a clone of the incomplete task.
2In the new cloned task, go to the Analytical Run page of the Task Configuration
and click Revert to sequence.
This restores your original sequence.
3Click Edit Sequence and remove the samples that already ran successfully.
4Click Accept changes to save your modified sequence with the task.
If your preparative run was stopped or aborted, the successfully processed
samples are saved with the task, which is now in a completed state, and no
further modifications can be made. You can proceed to reviewing your
purification results and export fractions as described in “Reviewing the
purification results” on page 13.

Purification Solution - Operator's Guide 11
Executing a Purification Task
2
Processing partial data and cloning tasks
1To process the missed samples of the purification run, create a clone of the
partially processed task.
2In the new cloned task, go to the Analytical Results tab and select the samples
to be purified by marking the check boxes in the Purify? column.
3Re-submit the purification run for the selected (missed) samples.
If you want to process only a subset of the samples from your available
analytical data, select the analytical data (result set folder or folder of your
single sample results) in the Analytical Run page of Task Configuration of a new
task.
1Select those samples that you would like to be evaluated and purified in the
Process? column of your analytical samples table.
2Create a new task as a clone of your previous task to run another subset of
samples from your analytical data and select the next subset of samples.
Make sure that all tasks that refer to the same analytical data are stored in the
same root folder, because the analytical results are copied into the same root
folder.
This avoids unnecessary copies of your analytical data. For example, the
default root folder is C:\Chem32\1\Purify\Tasks. The analytical results are then
stored in C:\Chem32\1\Purify\Tasks\AnalyticalResults.

12 Purification Solution - Operator's Guide
2 Executing a Purification Task
Reviewing the analytical results
Reviewing the analytical results
1If the master task has been set up to review the analytical results before
starting the preparative run, select the Analytical Results tab to review the
results once the evaluation of analytical results has completed.
You can review and change the target for purification before continuing
with the purification step.
In the Analytical Results tab, the identified target compound and the
calculated gradient profile are visualized. Spectral data of each peak is
displayed within the spectra tab. Target masses or formulas can be
corrected.
2When you are satisfied with the results, click Run in the top toolbar of
the Task dialog box to start the preparative run.
NOTE
All changes in the Analytical Results tab apply to the selected sample, so you must step
through all samples that you want to review or for which you want to change settings. If
settings have to be adjusted for all samples, return to the Task Configuration tab to
change the global settings, then restart the evaluation of the analytical results.

Purification Solution - Operator's Guide 13
Executing a Purification Task
2
Reviewing the purification results
Reviewing the purification results
1To display the purification results, click the Preparative Results tab.
OR
Open the Purification menu in the Chemstation Data Analysis view and select
Results.
The purification results are shown in a window with four sections:
•Upper left: the samples list. You can choose to view the samples either as
a tabular display or as a graphical representation of the autosampler
tray.
•Upper right: the fractions collected. You can choose to view the fractions
either as a tabular display or as a graphical representation of the
fraction collector.
•Lower left: the signals display, which shows all collected chromatograms
from the selected sample. The peaks are annotated with start and end
ticks and retention times, and the collected fractions are denoted by
colored bands.
•Lower right: the spectra display, which shows the spectra for the selected
fraction.
The Preparative Results tab displays the location of the injected samples in
the autosampler and the location of the collected fractions in the fraction
collector. It indicates the collected fractions in the chromatograms and the
corresponding spectral data that has been acquired. The display of spectral
data is an interactive process: clicking on a peak of the chromatogram
displays the spectral data, or clicking on a collected fraction displays the
spectral data and the chromatographic information. Select fractions to
export by CTRL-clicking fractions in the graphics or the table. Selected
fractions can be exported as a re-analysis sequence file or a liquid handler
pooling file by clicking in the Purification Task toolbar.

14 Purification Solution - Operator's Guide
2 Executing a Purification Task
Forcing the Purification Task to Close
Forcing the Purification Task to Close
If you get into a situation where you need to exit the Purification Task screen
but you cannot exit because of a pending run issue, such as Waiting for Standby,
you can use the following procedure:
1Unschedule any scheduled tasks.
•Click Unschedule in the top toolbar.
2Resume the run queue.
•Click Resume in the top toolbar.
The Automated Purification Software waits for a few seconds, then tries to
resume the run. If the run cannot resume, it is aborted, and reported as
Dropped in the purification Logbook. This releases the task from its Pending
status, and you can safely exit the Purification Task screen.
3Fix the issues in the ChemStation before rescheduling the purification
tasks.

Purification Solution - Operator's Guide 15
Glossary
Glossary
Administrator User who sets up the users of the purification software as Operators or Method Developers in the Agilent
OpenLAB Control Panel.
ChemStation OpenLAB CDS ChemStation Edition
Easy Prep mode Purification software work mode that focuses on the key data to set up and run purification tasks.
ChemStation access is blocked to prevent unintended interaction.
Expert mode Purification software work mode that grants full access to all features and functions of the software.
Method Developer User who provides the work environment (methods, procedures, systems, master tasks) for Operators. The
Method Developer works in Expert mode.
Operator User who operates an analytical and/or preparative instrument using predefined methods and procedures.
The Operator works in Easy Prep mode.
Purification task Entity in the purification software that describes all settings of a purification experiment, including its results
once the experiment has completed.
System A system within the purification software means a certain set of instrument configuration and operation
parameters that describe either the analytical or preparative instrument and run. Such a parameter set
provides the relevant settings in the analytical-to-preparative scale-up process.
System suitability test Specific preparative-only workflow task, used to purge the auto-sampler, flush the instrument and verify that
the compounds in a standard sample are separated as expected.
Regular purification tasks can be submitted to run only if the last system suitability test was passed or
accepted by a method developer.
Task template A purification task template that is used to create other tasks for a certain combination of systems. Tasks
templates are created in a special folder by the Method Developer. A task template is optimized for a certain
system combination and purification experiment using enhanced settings. Operators choose a suitable task
template to create the purification task for the planned purification experiment.

© Agilent Technologies 2016
Printed in Germany
11/2016
*M8368-90000*
*M8368-90000*
M8368-90000
Rev. C
www.agilent.com
Agilent Technologies
In This Book
This manual contains information for
Operators of the Automated Purification
software.
The manual describes the following:
•the role of the Operator
•how to execute a Purification Run