- Last Updated: Monday, 19 January 2015 23:01
- Written by Chavdar Slavov
Convert raw data
Raw data files
Time-resolved experiments are typically performed through a number of measurements (scans) which are then averaged to obtain the final dataset for analysis. In OPTIMUS you can load your single scans via the described input file formats, perform the averaging and finally export the dataset in the .ana file format used by the analysis modules. Please note that pump-probe transient absorption data should be supplied in transmission format. The conversion into absorbance is performed by OPTIMUS.
The 'Convert raw data' module is very intuitive and self-explanatory. Nevertheless, here are provided some tips on how to use it.
- Panel - Load row data
- Edit box - Background before (ps) - The program estimates the background level from the data points located before the time of the rise of the transient signal. Please specify this time point.
- Panel - Explore row data
- Edit box - Relative shifting of datasets - Sometimes a given experiment might be performed in more than one batch. However, the time zero position of the transient signal may be different for the different batches. Thus the module allows manual adjustment of the time shift between the different batches (datasets). Time resolution of the experiment could be lost if the averaging is performed before such an adjustment.
- Panel - Average and save data
- In case some of the scans are corrupted (e.g. have outliers due to scattering), all scans can be tested and if desired corrected or excluded from the averaging.
- Popup menu - Outlier correction on scan statistics; Push button - Check - An outlier correction of the scans can be performed based on the statistics of the whole dataset. The program calculates the 25-75% quantile range for the scans and scales it up depending on the selection from the pupup menu. Then it substitutes the data values lying outside the scaled range with a randomly generated value (to maintain the expected Gaussian noise statics of the data) within the interquantile range.
- Subpanel - Test scans similarity; Push button - Check - The program can perform a test of the scan similarity based on the integrated signals. Again, if the integrated signal lies outside the interquantile range it will be suggested for inspection or removal. This test should be performed after, if necessary, performing the outlier correction.
- Subpanel - Test scans similarity; Check box - Use outlier corrected data - To use the outlier corrected data both for the scan similarity test as well for the averaging the option needs to be selected.
- Subpanel: Scans to be excluded from averaging; Edit box - Exclude scans - An option to exclude corrupted scans from the averaging is also included.
- The averaged, ready for use with the analysis modules of OPTIMUS, dataset will be saved with extension .ana under the same name and in the same folder as the input .scans file.