Customizing the Columns in
the Standard Report
A
Standard Report is a collection of information generated from integration
regions and/or synthetic components. The format of the Standard Report
generated by the Regions or Comps pushbuttons (Figure 1) can be defined using
three configuration files located in the CasaXPS.DEF
directory, namely, RegionQuantTable.txt, ComponentQuantTable.txt and RegionComponentQuantTable.txt.
The order and number of columns generated is determined by the fields in these
configuration files, where each line in the file determines the nature of a
column within the final report. The number of valid entries in the
configuration file determines the number of columns in the report. Table 1
lists the set of strings used to define the report columns.
Figure 1
|
NAME |
Quantification
item name (name of Region or Component) |
|
POSITION |
Energy location
of the peak maximum |
|
FWHM |
Full
Width Half Maximum |
|
AREA |
Intensity
of background subtracted peak corrected for transmission and escape depth
approximation |
|
CORRECTED_AREA |
Intensity
of background subtracted peak corrected for library RSF, transmission and
escape depth approximation (MFP) |
|
RAW_AREA |
Uncorrected
or raw Intensity of background subtracted peak in CPSeV |
|
RSF |
Library
RSF |
|
TOTAL_SENSITIVITY_FACTOR |
Combined
correction factor of Library RSF * Transmission * MFP |
|
TRANSMISSION |
Value of
the transmission function correction function at the kinetic energy of the
peak maximum |
|
MEAN_FREE_PATH |
Value of the
mean free path correction function at the kinetic energy of the peak maximum |
|
CONCENTRATION |
Percentage
Atomic Concentration computed from the corrected area intensity |
|
ERROR_BAR |
Standard
Deviation of the Percentage Atomic Concentration |
|
AREA_ERROR_BAR |
Standard
Deviation of the Corrected Area Intensity |
|
START |
Start
Energy for the definition of a quantification region |
|
END |
End
Energy for the definition of a quantification region |
|
PEAK_TO_PEAK |
For differentiate
AES data, the difference between the maximum and the minimum intensities
within a quantification region |
|
PEAK_TO_PEAK_CONC |
Percentage
Atomic Concentration computed from the peak to peak intensity after
correction by the RSF. |
|
LINE_SHAPE |
The
line-shape define for a synthetic component |
|
TRANSITION_TAG |
Text
string used to identify and link components with quantification regions |
|
POSITION_CONST |
String
defining the constraint placed on the energy position parameter for a synthetic
components |
|
AREA_CONST |
String
defining the constraint placed on the peak area parameter for a synthetic
components |
|
FWHM_CONST |
String
defining the constraint placed on the peak FWHM parameter for a synthetic
components |
|
COLUMN_LABEL |
Alphabetic
character heading to the synthetic component table used to identify the
relative constraints in a peak model |
|
DEGREES_OF_FREEDOM |
The
number of data channels used to optimize a peak model |
|
VAMAS_BLOCK_NAME |
Block Id corresponding
to the VAMAS block from which a quantification item derives |
|
CENTROID |
Peak
position from an integration region measured using the centroid |
|
MASS |
Elemental
mass of the transition ( |
|
MASS_CONC |
Percentage
mass concentration |
|
SIGNAL_TO_NOISE |
Standard deviation in the noise distribution
assuming Poisson counting statistics |
Table 1: Keywords used to define the Standard Report configuration file.
Figure 2
shows a report in terms of percentage mass concentration where the
corresponding configuration file is displayed over the top on the report in
Notepad. Also note how the Experimental Variable shows labels associated with
the VAMAS file rows rather than the numeric experimental value. This is
achieved by generating the report whilst the Browser in the Experiment Frame is
in Edit Mode (Figure 3).
Figure 2
Figure 3: Second toolbar showing the Edit Mode toggle button.
Obtaining Quantification Details using the Configuration Files
Atomic
concentrations are computed from intensity corrected data. Several terms are
involved in determining the percentage atomic concentration so to assist the understanding
for the correct applied to the measured peak areas, the adjustments can be
tabulated using the configuration files for the Standard Report. The configuration
file shown in Figure 4 includes named fields from Table 1 designed to clarify
the nature of the calculation for the atomic concentration.
Figure 4: Configuration file used when the Region and Comps button is used to generate a quantification report.
The result from a set of quantification regions is presented
in Figure 5, where the columns appear in the order defined by the entries in
the file shown in Figure 4. The value for the mean-free-path correction is
determined from the value entered on the Regions property page in the
text-field inside the Intensity Calibration section. A value of -0.5 was
entered for this example, however some element libraries may already include
the MFP adjustment as part of the RSF, in which case the MFP value should be
set to zero. Transmission function data is either included in the VAMAS blocks
or can be added using the Intensity Calib property
page on the Spectrum Processing dialog window. The data in Figure 5 uses the
default transmission function entered into the VAMAS file by the Vision 2 data
system used to collect the spectrum.
Figure 5