Upload Files and Timing

Batch Log

BatchLog.xml

Sequence log recorded in form of XML file

[batch name].b\Method\

when sequence is complete
when batch is saved

[batch name].b\

when sequence is complete
when batch is saved

BatchLog.csv

Sequence log in form of CSV

[batch name].b\

when sequence is complete

[batch name].b\

when sequence is complete

BatchLog.pdf

Sequence log in form of PDF

[batch name].b\

when sequence is complete (If [Output Batch Log report as PDF file in addition to CSV file] check box checked on)

[batch name].b\

when sequence is complete (If [Output Batch Log report as PDF file in addition to CSV file] check box checked on)

Acquisition Method

AcqMethod.xml

Settings on acquisition method, sample list, tune parameters, AVS program, QC tune criteria, interference correction

[batch name].b\Method\

when acq batch is saved

[batch name].b\

when acq batch is saved

In *.d (Acquired Data)

When data was acquired

Included in archived acquired data (*.d.general.ssizip)

When data was acquired

DAMethod.batch.xml

DA Method set in MS-Top

[batch name].b\Method\

when acq batch is saved

[batch name].b\

when acq batch is saved

DAMethod.qc.xml

QC Method set in MS-Top

[batch name].b\Method\

when acq batch is saved

[batch name].b\

when acq batch is saved

Hardware Configuration

HardwareConfig_[Instrument].xml

Hardware settings, maintenance log

In *.d (Acquired Data)

When data was acquired

Included in archived acquired data (*.d.general.ssizip)

when data was acquired

PA Factors

MethPAFctor.xml

PA factor

In *.d (Acquired Data)

When data was acquired

Included in archived acquired data (*.d.general.ssizip)

when data was acquired

Acquired Data

*.d

Acquired data in the batch, which must include Acquisition Method (AcqMethod.xml), Hardware Configuration (HardwareConfig_[Instrument].xml) and PA Factors (MethPAFactor.xml).

This includes data file created by tune report for EPA method.

In the case of ECM/SDA, this file is archived as *d.general.ssizip.

[batch name].b\

When data was acquired
When data was converted

[batch name].b\

(Archved as *.d.general.ssizip)

when acquired and when imported to a data analysis batch
When data was converted

Full Spectrum

*.d

Full spectrum data

In the case of ECM/SDA, this file is archived as *.d.general.ssizip, which includes Hardware configuration (HardwareConfig_[Instrument].xml) and PA Factors (MethPAFactor.xml).

FullSpectrum\*.d\ in case of Startup or Hardware Task
[batch name].b\*.d\ in case that the full spectrum was done in batch

UserTune.b\*.d\ in case that the full spectrum was done in User Tune task

when full spectrum data is acquired

FullSpectrum\ in case of HW Settings, Startup
[batch name].b\ in case of Tune Task in batch
UserTune.b\ in case of User Tune Task

(Archved as *.d.general.ssizip)

when full spectrum data is acquired

Precursor/Product Ion Scan

*.d

Precursor/Product Ion Scan data

when scan data is acquired

[batch name].b\ in case of Tune Task in batch

UserTune.b\ in case of User Tune Task

when scan data is acquired

[batch name].b\ in case of Tune Task in batch

UserTune.b\ in case of User Tune Task

(Archved as *.d.general.ssizip)

Acq, QC, DA Method and Instrument Configuration

Acquisition Method [date time].pdf

Dara Analysis Method [date time].pdf

Instrument Configuration [date time].pdf

Settings on acquisition method, DA Method, and Instrument Configuration

[batch name].b\

beginning of the batch run (If “Output Acq, QC and DA method as PDF files into batch at the beginning of the batch run” check box checked on)

[batch name].b\

beginning of the batch run (If “Output Acq, QC and DA method as PDF files into batch at the beginning of the batch run” check box checked on)

Acquisition Method.pdf

Dara Analysis Method.pdf

Instrument Configuration.pdf

In *.d (Acquired Data)

When data folder is uploaded. (If “Output Acq, QC and DA methods, and custom report as PDF files into each data folder” check box checked on.)

Included in [batch name].b\[data file name].d.general.ssizip\

When Data folder is uploaded. (If “Output Acq, QC and DA methods, and custom report as PDF files into each data folder” check box checked on.)

Tune report

(Batch Task)

ICPMS-TuneReport-[date time].pdf

Tune report

[batch name].b\TuneReport\

when report is generated

[batch name].b\

when report is generated

BatchTuneReport.xml

Data to generate tune report

[batch name].b\TuneReport\

when report is generated

[batch name].b\

when report is generated

Tune report

(User Tune Task)

ICPMS-TuneReport.pdf

Tune report

UserTune.b\TuneReport\

when report is generated

UserTune.b\

when report is generated

BatchTuneReport.xml

Data to generate tune report

UserTune.b\TuneReport\

when report is generated

UserTune.b\

when report is generated

Tune Check Report

(General-Batch Task)

ICPMS-TuneReport-[date time].pdf

Tune check report (General)

[batch name].b\TuneReport\

when report is generated

[batch name].b\

when report is generated

BatchTuneReport.xml

Data to generate tune check report (General)

[batch name].b\TuneReport\

when report is generated

[batch name].b\

when report is generated

Tune Check Report

(General-User Tune Task)

ICPMS-TuneReport.pdf

Ture check report (General)

UserTune.b\TuneReport\

when report is generated

UserTune.b\

when report is generated

BatchTuneReport.xml

Data to generate tune check report (General)

UserTune.b\TuneReport\

when report is generated

UserTune.b\

when report is generated

Tune Check Report

(EPA-Batch Task)

QCTuneReport.pdf

Tune check report (EPA)

[batch name].b\QCTune\[batch name]-QCTune-[date time].d\

when report is generated

Included in [batch name].b\QCTune.EPAMethod.general.ssizip

when report is generated

QCTuneReport.xml

Data to generate tune check report (EPA)

[batch name].b\QCTune\[batch name]-QCTune-[date time].d\

when report is generated

Included in [batch name].b\QCTune.EPAMethod.general.ssizip

when report is generated

[batch name-QCTune-[date time].d

Acquired data to generate tune check report (EPA)

In the case of ECM/SDA, this file is archived in QCTune.EPAMethod.general.ssizip

[batch name].b\QCTune\

when report is generated

Included in [batch name].b\QCTune.EPAMethod.general.ssizip

when report is generated

[batch name].b\QCTune\EPAMethod.b

Created batch to generate tune check report (EPA), which includes Acq Method (AcqMethod.xml, DAMethod.batch.xml and DAMethod.qc.xml) and Batch Log (BatchLog.xml).

In the case of ECM/SDA, this file is archived as QCTune.EPAMethod.general.ssizip.

[batch name].b\QCTune\

when report is generated

[batch name].b\

when report is generated

(Archived as QCTune.EPAMethod.general.ssizip)

Tune Check Report

(EPA-User Tune Task)

QCTuneReport.pdf

Tune check report (EPA)

UserTune.b\QCTune\QCTune-[date time].d\

when report is generated

Included in UserTune.b\QCTune.EPAMethod.general.ssizip

when report is generated

QCTuneReport.xml

Data to generate tune check report (EPA)

UserTune.b\QCTune\QCTune-[date time].d\

when report is generated

Included in UserTune.b\QCTune.EPAMethod.general.ssizip

when report is generated

UserTune-QCTune.d

Acquired data to generate tune check report (EPA)

In the case of ECM/SDA, this file is archived in QCTune.EPAMethod.general.ssizip

UserTune.b\QCTune\

when report is generated

Included in UserTune.b\QCTune.EPAMethod.general.ssizip

when report is generated

UserTune.b\QCTune\EPAMethod.b

Created batch to generate tune check report (EPA), which includes Acq Method (AcqMethod.xml, DAMethod.batch.xml and DAMethod.qc.xml) and Batch Log (BatchLog.xml).

In the case of ECM/SDA, this file is archived as QCTune.EPAMethod.general.ssizip.

UserTune.b\QCTune\

when report is generated

UserTune.b

when report is generated

(Archived as QCTune.EPAMethod.general.ssizip)

Performance Report data

Performance Report.xml

Data to generate performance report

PerformanceReport\

when report is generated

PerformanceReport\

when report is generated

Batch Template

*.icpms.template

Batch template to create new Batch

\BatchTemplate\

when batch template is created

\BatchTemplate\

when batch template is created

MS-TOP AuditTrail

mstop.audit.xml

audit trail for system configuration

\StorageRootPath\ICPMH.SYS\[HostName]\AUDITTRAIL\

when the file is split for reducing the size
When Instrument Control software was closed

AUDITTRAIL\

when a user wants to upload by using tool menu of Instrument Control software.

Acq Batch Audit Trail

acqbatch.instctrl.audit.xml

audit trail for acquisition batch

[batch name].b\AuditTrail\

when saved
when batch is closed

when batch is created

when batch is opened

end editing batch in Batch task during acquisition

end edting Mode in Queue task

when saved as

when requeued

[batch name].b\

when saved

when batch is closed

when batch is created

when batch is opened

end editing batch in Batch task during acquisition

end edting Mode in Queue task

when saved as

when requeued

Data Analysis Audit Trail

[Batch name].audit.xml

Audit trail for Data analysis method

[batch name].b\AuditTrail\

when saved

when saved as

when closed

when added to queue

when requeued with a new number

Included in archived analysis result

([batch name].b\*.batch.bin.general.ssizip\)

when saved

when saved as

when closed

when added to queue

when requeued with a new number

Manifest File

[batch name].icpms.batch.olfs

This file keeps a list of the latest file in the batch and its check sum.

[batch name].b\

when acquisition method was updated

- when batch was created

- when batch was saved

- when batch was saved as

[batch name].b\

when batch was saved, data was acquired or converted, batch audit trail file was saved, batch result name was saved, full spectrum was acquired in batch, tune report was saved, batch log was saved

[data file name].icpms.data.olfs

This file keeps a list of files in .d folder and its check sum

[batch name].b\

when data was acquired

[batch name].b\

when data was acquired or data conversion such as background subtraction, ISTD point to point correction were done

[batch template name].icpms.template.icpms.batchtemplate.olfs

This file keeps check sum of manifest file.

N/A

\BatchTemplate\

When batch template is created

Fileset File

[batch name].icpms.batch.fileset

This file keeps a list of the latest file in the batch and its check sum.

[batch name].b\

when files under the batch was updated

- when batch was saved

- when data was acquired or converted

- when audit trail file was saved

- when analysis file was saved

- when full spectrum was acquired in batch

- when tune report was saved

- when batch log was saved

N/A

[data file name].icpms.data.fileset

This file keeps a list of files in .d folder and its checksum

[batch name].b\

when file under the data folder was updated

- when data was acquired

- when data conversion such as background subtraction, ISTD point to point correction were done.

- when report was generated under the folder

N/A

[batch template name].icpms.template.fileset

This file keeps check sum of manifest file.

\BatchTemplate\

when batch template is created

N/A

Method files by Method Automation

[Method]

AcqMethod.xml

BatchLog.xml

DAMethod.batch.xml

DAMethod.qc.xml

[Result]

Automation.result

MethodAutomation.csv

MethodAutomationResult.xml

Method files and results of Method Automation

[batch name].b\Method\

when acquired

[batch name].b

when acquired

Interference correction file

*.ite

Interference correction equation in Batch

[batch name].b\[data name]

when data was acquired

[batch name].b

when data was acquired

Sensitivity - Oxide ratio Profile (Batch Task)

*.txt

Sensitivity - Oxide ratio Profile

[batch name].b\PlasmaCorrection

when acquired

[batch name].b

when acquired

Sensitivity - Oxide ratio Profile (User Tune Task)

*.txt

Sensitivity - Oxide ratio Profile

UserTune.b\PlasmaCorrection

when acquired

[batch name].b

when acquired

Tabulated Spectrum

*.csv / *.tsv

Tabulated Spectrum after sample acquisition

In *.d (Acquired Data)

when data was acquired

Included in archived acquired data (*.d.general.ssizip)

when data was acquired

Tabulated Chart

*.csv / *.tsv

Tabulated Chart after sample acquisition

In *.d (Acquired Data)

when data was acquired

Included in archived acquired data (*.d.general.ssizip)

when data was acquired

Report Template

*.analysis.acrt / *.xltx / *.xltm / *.xlt

Report Template files in Batch.

[batch name].b\ReportTemplates\

when one of the following operations is performed.

- Import from Existing Batch (Data Analysis method, QC parameters)

- New Batch from Existing Batch (Data Analysis method, QC parameters)

- Import QC parameters

- Requeue

- Save Batch As

- Open Batch from Template

[batch name].b\

(Archved as ReportTemplates.general.ssizip)

when one of the following operations is performed.

- Import from Existing Batch (Data Analysis method, QC parameters)

- New Batch from Existing Batch (Data Analysis method, QC parameters)

- Import QC parameters

- Requeue

- Save Batch As

- Open Batch from Template

Archived Batch

*.Zip

Zipped Batch Folder

BatchArchives\

when archived

BatchArchives\

when archived

Host Information file

*.b.host

File that indicate usage status of the batch

[batch name].b\

when batch was created

when use of batch was released

when batch released was opened

N/A

Analysis Result

*.batch.bin

analysis result file

In the case of ECM/SDA, the file is archived as *.batch.bin.general.ssizip with QC Settings (qc.xml), Quick Scan Result(*.quickscan.bin), SemiQuant factor file (*.sqd.xml), Ion Database (element.db), interference correction file (*.ite), data analysis audit trail ([analysis file name].audit.xml).

[batch name].b\QuantResults\

when saved

Included in archived analysis result

([batch name].b\*.batch.bin.general.ssizip\)

when one of included files is saved

when the batch is created and saved in Instrument Control

Quick Scan Result

*.quickscan.bin

quick scan result file

[batch name].b\QuantResults\

when saved

Included in archived analysis result

when saved (same as archived analysis result)

QC Settings

*.qc.xml

qc settings file

[batch name].b\QuantResults\

when saved

Included in archived analysis result

when saved (same as archived analysis result)

Data Analysis Audit Trail

[analysis file name].audit.xml

Audit trail for data analysis software

[batch name].b\AuditTrail\

when audit trail file was updated

- when batch was created

- when batch was opened

- when batch was saved

- when batch was closed

- when new batch was saved as

Included in archived analysis result

when saved (same as archived analysis result)

Ion Database

Element.db

Element database

If the file is used for process
[batch name].b\QuantResults\[analysis name]\

when saved

If the file is used for process, it will be in archived analysis result

when saved (same as archived analysis result)

Interference correction file

*.ite

In case that interference correction was set in Batch-at-a-Glance, ite file will be generated in each .d folder and it will be uploaded with data.

.d\ and [batch name].b\interfer\

when the apply button is clicked in interference correction dialog

The file will be archived in *.d.general.ssizip.

when the apply button is clicked in interference correction dialog

SemiQuant factor file

*.sqd.xml

Files installed in \Agilent\ICPMH\1\SQFactor\

If the file is used for process
[batch name].b\QuantResults\[analysis name]\

when saved

If the file is used for process, it will be in archived analysis result.

when saved (same as archived analysis result)

Sample Report (CRE and G7201C C.01.03 or older template)

*.pdf

Custom sample report (=Analysis result report) generated by MassHunter

.d\

when generated in sequence run

Protect Mode:

Included in [batch name].b\[data file name].d.general.ssizip\

NOT Protect mode:

Included in [batch name].b\[data file name].d.general.ssizip\ in case that “Output Acq QC DA method and custom report as PDF file into each data folder” is CHECKED or “each data folder” on Generate Report Dialog is selected.

[batch name].b\ in case that the above is not satisfied.

when generated in sequence run

.d\

when generated by [Report] -> [Generate] menu

Protect Mode:

Included in [batch name].b\[data file name].d.general.ssizip\

NOT Protect mode:

Included in [batch name].b\[data file name].d.general.ssizip\ in case that “each data folder” on Generate Report Dialog is selected.

[batch name].b\ in case that destination on Generate Report Dialog does not contains [batch name].b\[data file name].d

when generated by [Report] -> [Generate] menu

Spike Recovery % Report

SpikeRecoveryPercent-[report type]-[date time].pdf

Spike Recovery % Report which is generated with following step.

[Report]

-> Spike Recovery % Report - Accuracy / Precision

-> Spike Recovery % Report - Ruggedness -> OK

[batch name].b\

when generated

[batch name].b\

when generated

Manifest File

[analysis file name].icpms.analysis.olfs

This file keeps a list of files which were used when the data analysis batch was processed

[batch name].b\

when batch was saved

[batch name].b\

when batch was saved and closed

Fileset File

[analysis file name].icpms.analysis.fileset

This file keeps a list of files which were used when the data analysis batch was processed

[batch name].b\

when files related to the batch were updated

- when batch was saved or closed

- when (data analysis) audit trail file was updated

- when report was generated or file was exported

N/A

Annotation file

*.xml

Annotation file in Data

In *.d (Acquired Data)

when annotation file is saved

Included in archived acquired data (*.d.general.ssizip)

when annotation file is saved

Tabulated Spectrum

*.tsv

Tabulated Spectrum file

In *.d (Acquired Data)

when data was acquired

Included in archived acquired data (*.d.general.ssizip)

when data was acquired

Tabulated Chart

*.csv

Tabulated Chart file

In *.d (Acquired Data)

when generated

Included in archived acquired data (*.d.general.ssizip)

when generated

Report Template

*.analysis.acrt / *.xltx / *.xltm / *.xlt

Report Template files in Batch.

[batch name].b\ReportTemplates\

when one of the following operations is performed.

- Import DA Method (Batch-at-a-glance)

- Import DA Method and Standard Data

- Import DA Method Only

- Import QC Parameters

- Import Samples / Import All Samples From Batch (only in the case of time programmed Single Particle Analysis)

[batch name].b\

(Archved as ReportTemplates.general.ssizip)

when one of the following operations is performed.

- Import DA Method (Batch-at-a-glance)

- Import DA Method and Standard Data

- Import DA Method Only

- Import QC Parameters

- Import Samples / Import All Samples From Batch (only in the case of time programmed Single Particle Analysis)

Host Information file

*.b.host

File that indicate usage status of the batch

[batch name].b\

when batch was created

when batch released was opened

N/A