Export format
Export format is based on EZChrom export format. Resultant exported file is a text file with following parameters:
- the name of the file listed in Export Chromatogram dialog is in the case of 3D data extended with “-3D” inscription at the end of the respective name to enable conjoined export of signals and 3D data.
- 8-bit ASCII coding, code page according to settings of the operation system.
- as a field separator the tabulator (ASCII code 0x09) is used.
- as a new line separator the sequence CR, LF (ASCII codes 0x0D, 0x0A) is used.
- text values are quoted with tabulators and ends of lines, tabulator and end of line symbols are not allowed.
- real numbers are in decimal or science-technical notation (1.2345e+6), it depends on which one is shorter; as a decimal delimiter the decimal point “.” is used.
- date and time are formatted according to settings in the operation system.
The caption of the exported file is formed from several lines in format:
<field name>:<tabulator><field value><end of line>
Individual fields in the file caption are:
List of fields in the PDA Export caption
| Field | Description |
|---|---|
| Version | The export version number, always 3. |
| Sample ID | The content of the Sample ID field in Single Analysis dialog or the Sequence window. |
| Data File | The implicit path and filename of the exported *.prm file. |
| Method | The name of the template method used (without file path and Extension), provides the info from the Chromatogram - Measurement Conditions - Instrument tab.) |
| User Name | The author of the chromatogram (the content of the Analyst field on the Chromatogram - Measurement Conditions - Instrument tab. |
| Acquisition Time | The time and date of the acquisition (the content of the Acquired field on the Chromatogram - Measurement Conditions - Instrument tab). |
| Sample Rate (Hz) | The sampling frequency (in Hz). |
| Number of Points | The number of spectra in the chromatogram (total number of samples on time axis, in other words the number of lines with values). |
| Wavelength Start (nm) | The minimal wavelength in the measured spectra (in nm). |
| Wavelength End (nm) | The maximal wavelength in the measured spectra (in nm). |
| Wavelength Step (nm) | The length of the step (in nm) between two sequential points in the spectrum. |
| Points per Spectrum | The number of points in the spectrum (= the number of fields in one line of values; the formula for the Points per Spectrum value is: Points per Spectrum = (Wavelength End - Wavelength Start) / Wavelength Step |
| Absorbance Units | The units of data values (after including the Absorbance Multiplier field, values can be in “µAU“, “mAU“ or “AU“). |
| Absorbance Multiplier | The coefficient transferring (integral) values in lines of values to real value in units listed in the Absorbance Units field. The value is chosen as close as possible to 1 so that all values in lines of values are still integral. |
The rest of the file contains lines of values. Individual values are integral numbers with sign, separated with tabulators. Lines contain spectra, columns signals in time for specific wavelength. First value on the first line corresponds to the time 0.0 min and minimal wavelength.