Step 3 configures the data input and data output settings of the reaction
run. The data input can be provided via an attached instrument or directly
from the file system. The output data can be saved to files and/or projects.
If an instrument is used as data provider, the main instrument parameters
( acquisition range, resolution ) need to be configured in this step.
Configures the input data provider for the reaction run. The following
options can be selected:
Any instrument available on the local machine can be used as input
data provider. The actual instrument name will be shown in the drop-down
list. The list will show all instruments that are currently available
for a connection. Instruments that are currently busy will not be shown,
you will have to wait until it they are available again. If an instrument
is selected, the basic instrument parameters also have to be defined in
the subgroup below.
Why is my instrument not available?
The instrument selection box will only list those instruments that are
available for a connection. Instruments that are currently busy measuring
cannot be detected and therefore are not shown in the list. The user has
to wait until an instrument is available again to be able to connect to
File System Data Provider
(not available on all Systems):
This option enables the use of a file system folder as input data provider.
The software will monitor the selected folder for new files. All spectra
written to the monitored folder will be used as input data for the reaction
run. This option is useful for using unsupported spectrometers or other
sources as data input.
Reference Measurement Settings
Configures the reference measurement options for the instrument data
provider. The following options are available:
No reference is measured.
The reference spectrum needs to be measured manually prior to each
reaction run, the reaction view provides an additional button for starting
the reference measurement. The reaction run itself cannot be started until
the reference spectrum has been measured.
For each reaction run:
The user will be prompted by the software to measure a reference prior
to each reaction run. The message shown to the user before the reference
measurement and before the reaction run start can be customized here.
A predefined spectrum file will be used as reference. The file can
be selected via File
Opendialog by clicking
on the button.
The contents of this section depend on the selected data provider. Either
the instrument parameters or the file system parameters need to be customized
Instrument Data Provider:
The basic measurement parameters (Instrument name, start & stop
wavenumber, resolution) need to be provided for the selected instrument.
The acquisition range is defined via start and stop wavelength and the
measurement resolution can be selected by drop-down box.
File System Provider:
The basic parameters for the file system monitoring need to be provided.
The Path to the monitoring folder
is selected via File Open dialog by clicking on the
button. The Filter needs to
be set according to the spectrum files to be opened. If only the actual
spectrum files are written to the monitoring folder, the generic filter
*.* is sufficient. If any other
files are written along with the spectrum files, the filter must match
the file extension of the spectrum files. The monitoring may be extended
to all subfolders of the selected path by activating the Include
Save to Folder Configuration
Saving the measured data to the file system is optional and may be activated
by checking the Autosave checkbox.
If this is not activated, the user still has the option to save the reaction
data manually using the Save buttons
from the control panel of the reaction window. The "Save to
Folder" option is only available if a physical instrument is selected
as data provider. The root folder for all reaction data can be configured
using the command Set Directory for reaction
runs in the Reaction Monitoring
menu. The following options are available:
Activate this option to automatically save the reaction data to the
file system using the configured options.
Predefined naming schemes for the data folder can be selected here.
The edit box will automatically show the current value of the selected
naming scheme. Clicking into the edit box allows the user to select/edit
the naming scheme. The predefined options are %NAME% %COUNT%, %NAME% %HH-mm%,
%NAME% %HH-mm-ss% and %NAME% %yyyy-HH-mm-ss%. The naming placeholders
resolve to the following values:
%NAME%: Inserts the name of the reaction into the folder name.
Example: In step 1 of the wizard the name of the reaction was specified
as "Hydrolysis of Butylacetat". All reaction data will then
be saved to a folder which begins with that name.
%COUNT%: A continuous number indication the reaction count.
A timestamp value that resolves to the actual time is inserted into the
folder name. Example: The selected timestamp is %HH-mm-ss% and the reaction
is run at 11:23 and 30 seconds. Therefore it will saved to a folder with
the name "Hydrolysis of Butylacetat 11-23-20". The placeholder
itself may be edited by the user.
A drop-down box shows all available file formats. The desired format
for saving the input data needs to be selected here. This option defaults
to the native Panorama data format (*.panorama).
Activate this option to additionally save the measured samples to the
save folder as separate files in the above selected format.
Activate this option to additionally save the outlier samples to the
save folder as separate files.
The general folder structure of a reaction save folder will look similar
to this example:
Save to Project Configuration
Saving the measured data to a project file is optional and may be activated
by checking the Autosave checkbox.
The naming scheme for the project file can be configured in the same way
as for the "Save to Folder" option. The folder structure of
the project is also similar to the file system folder structure. The project
file itself will be written to the root folder for all reaction data,
which can be configured using the command Set
Directory for reaction runs in the Reaction
Activate this option to automatically save the reaction data to a project.
Predefined naming schemes for the project. See above.
Time Stamp Settings
The timestamp strings follow the common date/time formatting convention
( HH=two digit hour, mm=two digit minutes, ss=two digit seconds etc. )
and may be edited by the user to his liking. The following strings are
HH-mm: Converts 11:23:54 AM to 11_23
HH-mm-ss: Converts 11:23:54 AM to 11_23_54
yyyy-MM-dd HH_mm: Converts the 15th of April 2011 and
the above time to: 2011-04-15 11_23
Just click the Next
> button to proceed to the next step. Click the < Back button to
revert to the last step.