Injection List

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Injection List in Data Processing view

This window displays all selected single sample injections or injections that are part of the selected result set in the navigation tree. The data selection in this window is synchronized with the injections selected in other windows (for example, the Chromatograms window).

The window is divided in two parts:

The upper part contains the list of injections.
the Compound amounts tab in the lower part contains information on compound specific amounts in calibration standards (see also Use different amounts per compound and injection). You can expand or collapse the Compound amounts tab.

You can also set up a bracketed calibration in this window (see Set up a bracketed calibration).

Instrument name

Name of the instrument with which the data has been acquired. The instrument name is available for data acquired and saved with OpenLab CDS v2.6 or higher. It may not be available for older data.

Order #

Order number of the sample in the sequence (sequence line).

Injection #

Injection # of total number of injections per sample.

Sample name

Sample name of the injection as entered in the sequence.

Sample label

Sample label of the injection (optional). Can be used, for example, to search for data in the Data Selection view, or to group data in a report template. Only alphanumeric characters are allowed.

Sample type

Sample types are used in a sequence to describe each item being processed.

Sample type descriptions:

Sample - A sample with unknown amounts of analytes being analyzed.
Blank - A sample without any analytes that is treated like a sample. It is used as a signal-to-noise reference for all subsequent samples and for system suitability. If an ISTD method is being used, then the Blank usually contains the internal standard.
Double Blank - Sometimes called solvent blank, it is used to prove that no chromatographic artifacts are coming from the instrument flow path for that particular column.
Cal. Std. (Calibration standard) - A sample with a known amount of analyte that is used as a reference to create or update a calibration table in the processing method.
QC Check - A sample with a known amount of analyte that is used to verify and prove that the calibration is correct.
Spike - A sample with a known amount of standard added.
Sys. Suit. - A sample that is run to demonstrate that system is working correctly as expected. This sample is typically run before running other samples.

Bracket

Shows how calibration standards are bracketed according to the selected Bracketing mode.

Run type

For calibration standards:

Clear all calibration means that all previous calibration points will be removed when processing this standard.
Clear calibration at level means that all previous calibration points of the level of the calibration standard will be removed when processing this standard.
Empty means that a new point will be added to the calibration curve. If a calibration point already exists for the current calibration level, and you use average values to calculate the calibration curve, the application calculates the average value of all existing calibration points for the given level (see Modes of using individual points).

Level

For calibration standards: level of the standard.

Injection date

Date and time when the sample was injected.

Modification date

Date when the injection was last processed.

Sample Amount

Sample amount as entered in the sequence.

ISTD Amt 1-5

ISTD amounts as entered in the sequence table. They can be modified for a individual injections afterwards. ISTD Amt 1 to ISTD Amt 5 are automatically mapped to multiple ISTD compounds in the order of their expected retention times.

Multiplier 1-5

Sample multipliers; multiplication factors as entered in the sequence table per sample, can be modified for a single injection afterwards. Used to calculate the concentration for all compounds (see Concentration and mass% and Correction factors)

Dil. Factor 1-5

Sample dilution factors; dilution factors as entered in the sequence table per sample, can be modified for a single injection afterwards. Used to calculate concentration for all compounds (see Concentration and mass% and Correction factors)

Acq. method

Name of the method used to acquire the raw data (acquisition method).

Proc. method

Name of the method used to analyze the data (processing method).

Description

Description of the sample as entered in the sequence table.

Vial

Vial number or plate location.

Injector position

Position of the injector on the instrument. For dual tower GC instruments: front or back. For LC: always front.

Data file

Name of the data file if source system is file based.

LIMS ID 1-3

Keys required for connection from and to a LIM system.

Barcode

Barcode label as it has been read from the sample vial. The value is read only.

Expected Barcode

The expected barcode as provided in Acquisition (manually or via barcode scan). When you automate your processes, you can determine actions if the expected barcode does not match the actual barcode (e.g. abort the sequence). The value is read only.

Compound amounts

Indicator if the amount of a calibration sample has been modified. The compound amount is defined in the calibration parameters in the method, but may be adjusted for individual injections.

The Compound amounts tab is shown in the lower part of the Injection List window. It shows the amounts defined in the method and allows editing of the actual amounts in the sample.

Target 1-5

For mass spectrometry: Masses or formulas that you want to use for the MS sample purity calculation. You can mix molecular weights and formulas, for example: . The targets may already be set in Acquisition, but can be adjusted here.

Your entry will be checked for positive molecular weights, and for letters that represent existing chemical elements.

If you add target masses or formulae, and you link your injection to a mass spectrometry method, the processing function will automatically generate extracted ion chromatograms (EICs). If the target masses correspond to any available selected ions, it will also extract selected ion monitoring (SIM) signals.

In Reporting, the automatically generated EICs and SIM signals are shown as chromatograms, same as other signals.

Compound custom fields

If you have configured Compound Custom Parameters for your project: Click in the Compound custom fields column to show the corresponding parameters and values in a separate part of the window.

If you have configured Sample Custom Parameters for your project, there will be a separate column for each single parameter.

Compound custom fields are configured per project in the Control Panel. There you also define if a custom parameter is mandatory. Values of mandatory parameters cannot be deleted. Parameter values can also be modified in Acquisition.

Blank

Select which blank to subtract from the signal of an injection (see Configure blank subtraction). By default, the blank last acquired prior to the injection is selected.

The blank can only be selected if:

Blank subtraction is turned on in the processing method
The sample is not a blank itself
The option Use blanks defined in the sequence is selected in the processing method

Compound amounts tab

Type

The icon indicates whether it is internal or external standard, a normal or time reference compound, or a group compound.

External standard, normal compound

External standard, time reference compound

Internal standard, normal or time reference compound

Named group

Timed group

Name

Name of the compound

Only those compounds are shown where the amount is used to calculate the calibration curve. For example, compounds that use a fixed response factor are not shown.

Corrected amount

Calculated from compound amount in sample, sample-specific compound multipliers, and sample-specific compound dilution factors. The dilution factors are used either as a divisor or as another multiplier; you choose this calculation with the Concentration and corrected amount calculation setting in the processing method under Calibration on the General tab.

Amount in sample

Overrides the compound amount set in the processing method. Amount in sample can also be set in Acquisition.

Amount in method

Read only: Compound amount defined in the processing method

Is ISTD

Read only: Shows whether the compound is an internal standard. This column is only visible if you enabled internal standards in the processing method.

Multiplier 1 - 5

Sample-specific compound multipliers; these multipliers are used to calculate the corrected compound amount.

Dil. factor 1 - 5

Sample-specific compound dilution factors; these dilution factors are used to calculate the corrected compound amount.

21-Feb-2025