AIA export
Export OpenLab CDS 2.x raw data, MS spectra, and peak results as netCDF format (revision 3.4) according to AIA Chromatography Data Standard Specification V1.0.1.
One *.cdf file is created for each signal of an injection. In addition, for MS spectra raw data, one *.cdf file and one *.ms. file is generated per signal, polarity, and fragmentor voltage. The *.ms file format is identical to the one generated by OpenLab CDS ChemStation Edition.
The *.cdf file names for exported MS spectra files are built from the <dx name> + <signal name> + "_spectra", for example, 10th single run_MS1 +TIC SCAN ESI Frag=135V_spectra.cdf. If a file with the same name already exists, a number will be appended on each reprocessing.
The *.ms files follow the naming convention MSD1.ms, MSD2.ms, MSD3.ms, and so on, which is required by ChemStation. However, these raw data files are generated only once. If they already exist, they will not be overwritten. Therefore, to ensure that you get these files for all injections, ensure that different injections are exported to different folders. For example, see Export both ChemStation raw data and MS spectra.
If your data includes custom fields, they are included in the export.
Reference chromatograms are not exported.
As the AIA export reads the raw data from the application memory, the signal may have already been prepared. That is, blank subtraction or smoothing may have been applied if configured in the processing method.
Prerequisites
To be able to carry out the procedure as described, you need the privilege Processing Method > Edit Post Processing Plugins parameters. Privileges are configured in the Control Panel.
-
You use LC or GC data.
You do not export 3D spectra that have been imported from OpenLab CDS ChemStation Edition or MSD ChemStation.
In the processing method, select the Tools > Post Processing Plugins node.
Choose AIA export from the drop-down list, and click + to add the plugin to the processing method.
Under Custom name, enter a name.
Select the Run plugin check box to run the plugin at the end of processing your data.
Under Export to, choose where you want to save the exported files. If you choose Result set folder, you can save them in the result set folder or in any subfolder of this result set.
Output path: Define a path to save the exported data.
Define a file name for the exported data.
In the method report, the plugin will be shown with this name.
Click
to navigate to the directory. If you export the
file into the result set folder, this button is inactive. In that case, you can
only provide a relative output path, which will create a subfolder in the
results folder.
Click
to select tokens as required. With tokens you
create a dynamic path that will be named, for example, corresponding to the
instrument name or result folder name.
| If you want to export to a network share: Make sure that instrument service user has sufficient privileges to access this folder. For details, see Create Account to Access Network Share in the installation instructions. |
Under File
name, provide a suitable name, or click
to select tokens as required. With tokens you
create a dynamic path that will be named, for example, corresponding to the
result name and time stamp.
If you need to restrict the file name to a certain length, select Limit file name to, and enter the required number of characters. The resulting name will be extended by the .CDF file extension and, if applicable, an automatically generated counter.
By default, existing files are not overwritten. For new files, a counter is automatically appended to the file name. To omit the counter, select Allow to override existing CDF files.
If you acquire or process a sequence with several injections, define your file name settings carefully. If you allow to override existing CDF files, make sure that you define appropriate tokens for the output path, and allow for a sufficient number of characters in the file name. Otherwise, only one single CDF file or a series of files with meaningless names may be generated. |