1.21 Croissant (*.PESP)
This special data format is used by the University Basel. Only one region will be saved. The header includes the recording parameters (e.g. start-, end- and excitation energy, step width, etc.). The data set with eight columns includes the binding energies, the kinetic energies, the sum intensities (is loaded) and the intensities of each channeltron (book ‚Line Positions and Data Formats – Version 2020’ 3.1.22).
1.22 SSI XPS (*.MRS)
This special data format is used by the University Stanford. Only one region is saved. The header includes the recording parameters (e.g. start- end energy, step width, excitation energy, ...). Only the first data block is loaded (s. book ‚Line Positions and Data Formats – Version 2020’ 3.1.23).
1.23 SPECS Phoibos225 (*.XY)
This data were generated from a special converter of the spectra recording software SpecsLab. The SpecsLab software offers the following eight generation options:
- Counts Per Second: yes/no,
- Kinetic Energy Axis: yes/no,
- Separate Scan Data: yes/no,
- Separate Channel Data: yes/no,
- External Channel Data: yes/no,
- Transmission Function: yes/no,
- Asymmetry Recalculation: yes/no,
- Error Bar: yes/no.
The acquisition parameters are stored in the header (s. book ‚Line Positions and Data Formats – Version 2020’ 3.1.24). Multipoint (Area) scans include the x and y recording position of every region.
The step width of snapshot scans is not equidistant. Therefore the energy values of the intensities are not used from the original data. The energy values and the step width are calculated using the initial and final energies and the number of the snapshot channels. The average energy values have uncertainties with respect to the original data of less than ±0.02 eV.
1.24 HTW Berlin (*.DAT)
This special data format was implemented into UNIFIT for a spectrometer of the HTW Berlin. The exact data structure is shown in the book ‘Line Positions and Data Formats – Version 2018’, 3.1.26. The data comments are in German. The decimal delimiter is the comma. The first column is the energy axis in KE. The third column includes the intensities.
1.25 1. Column: BE decreasing/Following Columns: Intensity (*.*)
This input routine supports the simplest form of measurement data format. The 1st column includes the values of the decreasing binding energies and the following columns states the intensities. All comments without a preceding number before and after the measurement data are ignored. The characters of delimitation are arbitrary (no point!). The decimal character must be a point. The acquisition parameters:
- Excitation energy,
- Name of region,
- Comment
- Dwell time,
- Number of accumulations,
- Analyser mode,
- Pass energy,
- Lens mode,
- X position,
- Y position
are to be provided in a separate dialogue box (book ‚Line Positions and Data Formats – Version 2020’ 3.1.25).
1.25. 1. Column BE increasing / 2. Column intensity
This input routine is the same as described in point 1.25 but the binding energy is increasing (book ‚Line Positions and Data Formats – Version 2020’ 3.1.25).
1.26. 1. Column KE decreasing / 2. Column intensity
This input routine is the same as described in point 1.25 but the kinetic energy is decreasing (book ‚Line Positions and Data Formats – Version 2029’ 3.1.25).
1.27. 1. Column KE increasing / 2. Column intensity
This input routine is the same as described in point 1.25 but the kinetic energy is increasing (book ‚Line Positions and Data Formats – Version 2020’ 3.1.25).
2. XAS Data Format
XAS measuring data can be stored in non-equidistant step width and the energy scale not necessarily needs to be monotonously rising or falling. During reading data are converted into data with equidistant step width. Not available intensity values are calculated by linear interpolation. Before reading the data are ordered according to the energy values and the step width. The smallest generated step width is 0.01 eV. The input of XAS data changes the labelling of the X-axis to 'Photon energy / eV'. All opened windows presenting an XA spectrum get an internal XAS sign for the special programme control XAS.
2.1 NEXAFS (*.DAT)
This special input routine reads data with non-equidistant step widths typical for NEXAFS measurements. Firstly the smallest step width sw of the data set will be estimated. Secondly the spectrum is converted to an equidistant form with the step width sw and a new number of data points. Not available intensity values are interpolated linearly. The X-axis will be annotated with ‘Photon energy / eV’. All necessary recording parameters (pass energy, dwell time…) have to be inserted manually (book ‚Line Positions and Data Formats – Version 2020’ 3.2.1).
2.2 BESSY-EMP/2 (*.*)
The data are saved in a number of columns. (1. Column: Photon energy (increasing), next columns: intensity, reference data). The recording parameters are saved in the header (number of data points, dwell time...). A variable reading routine allows the allocation of the different columns to the correct data form. The intensities can be normalized optionally using reference data. (book ‚Line Positions and Data Formats – Version 2020’ 3.2.2). Start energy, end energy and step width of the input can be changed optionally.
2.3 MAXlab Scan Zeiss (*.SP7)
This data format is typical for the synchrotron in Lund. The data are saved in twelve columns with eleven characters. (1. Column: Photon energy (increasing), next columns: intensity, reference data). The recording parameters are saved in the header (number of data points, dwell time...). A variable reading routine allows the allocation of the different columns to the correct data form. The intensities can be normalized optionally using reference data (book ‚Line Positions and Data Formats – Version 2020’ 3.2.3). Start energy, end energy and step width of the input can be changed optionally.
2.4 Lausanne-NanoLab (*.*)
This data format is typical for the Lausanne Nanolab. The data are saved in columns with eleven characters. Every column has a title (e.g. MonoEnergy, Counter1,...). A variable reading routine allows the allocation of the different columns to the correct data form. The inte20ities can be normalized optionally using reference data (book ‚Line Positions and Data Formats – Version 2020’ 3.2.4). Start energy, end energy and step width of the input can be changed optionally.
2.5. 1. Column Photon Energy decreasing/2. Column Intensity (*.*)
This input routine supports the simplest form of measurement data format. The 1st column includes the values of the decreasing Photon energies and the 2nd column states the intensities. All comments without a preceding number before and after the measurement data are ignored. The characters of delimitation are arbitrary (no point!). The decimal character must be a point. The acquisition parameters:
- Name of region (comment),
- Dwell time,
- Number of accumulations,
- Pass energy
are to be provided in a separate dialogue box (book ‚Line Positions and Data Formats – Version 2020’ 3.2.5).
2.6 1. Column Photon Energy increasing/2. Column Intensity (*.*)
This input routine is the same as described in 2.5 but with increasing Photon energies (book ‚Line Positions and Data Formats – Version 2020’ 3.2.5).
3. AES Data Format
The AES measuring data have equidistant step widths and a monotone increasing or decreasing KE energy scale.
3.1 VAMAS (*.VMS;*.NPL)
The VAMAS format is developed especially for chemical surface analysis with XPS. It allows transferring standard spectra, parameter-dependent measuring series (depth profiles, XPD‘s...), line scans, multipoint (area) scans as well for further treatment (see book ‘Line Positions and Data Formats – Version 2018’ 3.1.13). The x and y position of the recording point is available. Special options (normalization or sum operation) of the input may be selected in the menu point [Preferences – Import – VAMAS (*.VMS;*.NPL)]. In case of a multipoint scan the batch parameters are generated using the x and y position (x|y)(book: ‘Line Positions and Data Formats – Version 2020’, 3.3.1).
3.2 PHI Spectrometers/Single Spectra (*.SPE)
This special different data formats (different software versions) are used from the PHI Spectrometers (e.g. PHI 700, PHI 680, …). The acquisition parameters are saved from the line SOFH to line EOFH using the ASCII-text format. The intensity values are stored at the end of the file in single or double float format. The number of bytes of the saved intensities is four or eight times higher as the number of channels of all regions (book: ‘Line Positions and Data Formats – Version 2020’, 3.3.2.1).
3.3 PHI Spectrometers/SDP/SAM (*.PRO;*.ANG;*.MAP;*.LIN)
This special different data formats (different software versions) of profiles. line scans or mappings (SDP, angle-resolved measurements, etc.) is used from the PHI spectrometers (e.g. PHI 700, PHI 680, etc.). The acquisition parameters are saved from the line SOFH to line EOFH using the ASCII-text format. The intensity values are stored on the end of the file in single or double float format. The number of bytes of the saved intensities is four or eight times higher than the number of channels of all regions (book: ‘Line Positions and Data Formats – Version 2020’, 3.3.2.2 (*.PRO) and 3.3.2.3 (*.MAP)).
If the x-y points at the enery E of a mapping have one intensity value I only, two additional points are generated during the input routine (I(E - 1) = I(E)/100,I(E) = I(E), I(E + 1) = I(E)/100).
3.4 1. Column KE decreasing / Following Columns: Intensity (*.*)
This input routine is the same as described in 1.26 but the kinetic energy is decreasing.
3.5. 1. Column KE increasing / Following Columns: Intensity (*.*)
This input routine is the same as described in 1.26 but the kinetic energy is increasing.
4. RAMAN Data Format
RAMAN measuring data are stored in non-equidistant wave number-step width. The wave number scale is monotonously. During reading data are converted into data with equidistant step width. Not available intensity values are calculated by linear interpolation. Before reading the data are ordered according to the wave number values and the step width. The smallest generated step width is 0.01 eV. The input of RAMAN data changes the labelling of the X-axis to 'Wave number (cm-1)'. All opened windows presenting an RAMAN spectrum get an internal RAMAN sign for the special programme control RAMAN. The acquisition parameters are adjusted to the RAMAN spectroscopy and can be checked and changed during the input procedure. The acquisition parameters are:
- Laser wavelength,
- Name of region,
- Comment
- Dwell time,
- Number of accumulations,
- Exposure mode,
- Grating,
- Slit entrance,
- Initial wave number,
- Final wave number
- X position,
- Y position.
4.1 S-I VistaControl (*.TVF)
This special format is created by the software VistaControl of the company S&I. The data format has a typical xml structure. All typical measurement types (single spectra, multi region spectra, batch-parameter measurement, XY mappings) can be saved. Many (not all) acquisition parameters are available (book: ‘Line Positions and Data Formats – Version 2020’, 3.4.1).
4.2 S-I VistaControl XY Multipoint(Batch Parameter Measurement (*.CSV)
This format is exported by the software VistaControl of the company S&I. The data format has a typical csv structure (1. column: wave numbers, 2. column: intensities). The header includes some acquisition parameters. In case of a multipoint measurement the number of x and y coordinates are the same (book: ‘Line Positions and Data Formats – Version 2020’, 3.4.2).
4.3 RUFF (*.TXT)
This format has the RRUFF reference spectra (http://rruff.info). The header includes some acquisition parameters and chemical information about the reference material. The downloaded spectra are saved in a special folder: Documents\Unifit_2018_User_Files\RRUFF RAMAN spectra (book: ‘Line Positions and Data Formats – Version 2020’, 3.4.3).
4.4 EMCCD LabRam HR800 (*.TXT)
This format permits the loading of one spectrum of the spectrometer EMCCD LabRam HR800. The acquisitin parameters must be defined manually. The wave number has to be decreasing (book: ‘Line Positions and Data Formats – Version 2020’, 3.4.4).
4.5 EMCCD LabRam HR800 Mapping WN Decreasing (*.TXT)
This format permits the loading of a large number of spectra of a multipoint measurement of the spectrometer EMCCD LabRam HR800. The values of the wave numbers are saved in the first line (decreasing). The positions of the recording points saved, too. The acquisitin parameters must be defined manually (book: ‘Line Positions and Data Formats – Version 2020’, 3.4.5).
4.6 EMCCD LabRam HR800 Mapping WN Increasing (*.TXT)
This format permits the loading of a large number of spectra of a multipoint measurement of the spectrometer EMCCD LabRam HR800. The values of the wave numbers are saved in the first line (increasing). The positions of the recording points saved, too. The acquisitin parameters must be defined manually (book: ‘Line Positions and Data Formats – Version 2020’, 3.4.6).
4.7 1.Column: WN Decreasing/Following Columns: Intensity (*.TXT;*.CSV;*.DAT)
This input routine is the same as described in 1.25 but the wavenumber is decreasing. A series of files of a batch measurement can be loaded automatically. The batch indicator is a four-digit number (e.g. Test_0001.csv, Test_2156.csv). The loading procedure starts from the selected file. If a file is available with a batch indicator will be greater than the old value by one, than the file are loaded additionally and so on (e.g. Test_0001.csv, Test_0002.csv, Test_0003.csv, Test_0005.csv are saved, Test_0001.csv is selected, the files Test_0001.csv, Test_0002.csv and Test_0003.csv are loaded). All loaded regions get the measurement file name from the first one.
4.8 1.Column: WN Increasing/Following Columns: Intensity (*.TXT;*.CSV;*.DAT)
This input routine is the same as described in 4.7 but the wave number is increasing. A series of files of a batch measurement can be loaded automatically.
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