Result Table
Invoking this command switches the lower part of the Chromatogram window to the Results tab, displaying the Result Table in the left half and Calculation in the right half. When using a multi-detector chromatogram the Result Table is specific only to the active signal.
Note:
If you use Peak(s) Selected in Result Table option in Graph Properties dialog, the active row(s) in Result Table will color the area of corresponding peak(s) in the Main Graph. The peak color is the same as the signal color and corresponds to the text color of the table heading.
Chromatogram - Results tab - Result Table
The Result Table consists of the Heading, Upper Header, Left Header and columns, which may be default or user defined. The appearance of the Result Table of chromatogram with linked calibration differs from the one without it. For chromatograms without calibration file linked some of the columns are not available.
Note:
The user columns defined in the Result Table and in the Summary Table are independent.
Note:
The Result table is visible only when chromatographic data are unchanged. After modifying primary data (Scale or Move operations) the Result table will disappear as the results are no longer valid.
Setting Peak Color for Groups in the Calibration highlights respective peaks in the chromatogram as well as their background color in the Result Table. Setting Peak Color for Named Groups in the Calibration highlights background color in the Result Table but not in the chromatogram itself, as peak may belong in more than one Named Group.
Columns in the Result Table are ordered by Reten. Time by default. Double click a column header to change the order by. Displayed results from the Result Table are printed in the exact order as seen on the screen (WYSIWYG).
Note:
Changing the order in the Result Table and changing the signal or opening a new chromatogram does not reset the order to the default (Reten. Time) - it must be done manually.
Units in the Result Table
Units in columns of the Result Table come from a single place in Clarity.
Heading
Shows the calibration calculation type, name of the active chromatogram and in the case of multi-detector chromatograms name of its active signal. If it is not possible to use the selected type of calculation for whatever reason, an error message (with exclamation marks) below the heading supplements a description of the cause of the problem.
The heading is always in the color of the active chromatogram (signal) whereas the error is in red. If there is multiple errors, they will be displayed in a list.
Upper header
Shows the names of columns. A click on the field in the column header selects the column, a double-click arranges the table in ascending order according to the values in the column. A second double-click arranges the table in descending order. This column can be moved by clicking on the selected column header and dragging the cursor to the desired position. The column can be widened or narrowed by pressing the left mouse button above the right edge (when the cursor is changed to 
) and dragging it. A double-click above the right edge sets the lowest possible width of the column for the data and column header to fit in.
Left header
Shows the serial number of particular peak and possibly also the indication of appurtenance to group of peaks. When using the All peaks in Calibration option for the Report in Result Table selection, the substances present in the calibration but not found in the active chromatogram are indicated with a red serial number taken from the calibration beginning with the letter C.
Retention time of peaks in minutes. The peaks are by default ordered according to the retention time, so double-clicking Reten. Time column header returns the Result Table to the default arrangement.
Start Time/End Time [min]
These columns display the retention time of particular Peak Start/Peak End. They are hidden in the default layout.
Apex Value [mV]
Shows the y-axis value of the peak's apex. This column is hidden in the default layout.
Start Value/End Value [mV]
These columns display the height of the baseline in the Peak Start/Peak End. They are hidden in the default layout.
Start Value (Signal)/End Value (Signal) [mV]
These columns display the height of the signal in the Peak Start/Peak End. They are hidden in the default layout.
Area [mV.s]
Shows the peak area in millivolt-seconds (or units defined in the detector setup*seconds). This column is hidden by default when the calibrated results are used. Instead the Response column is shown. Peak Area is determined as a sum of trapezoid areas defined by vertical lines from the individual data points to the baseline drawn between peak start and peak end.
Height [mV]
Shows the height of the particular peak in mV (or units defined in the detector setup). This column is hidden by default when the calibrated results are used. Instead the Response column is shown. Peak Height is determined on vertical line from peak apex to the baseline drawn between peak start and peak end.
Area or height of the peak used in the calibrated calculation. The type of response is selected according to the calibration file and could be shown for each peak in the RB column.
Describes the response base for the particular peak when the calibrated calculation is used (A stands for area, H for height). Unidentified peaks use the response base according to the Response Base parameter set in the Unidentified Peaks section.
Shows the Retention Index (Kovats Index) for the given peak. The calculation of the Retention Index is performed according to the information set in the Calibration window in the Reten. Index column and the Retention Indexes use Log. Interpolation with Unretained Peak checkbox set in the Calibration Options dialog. The column is only available in the Result Table for the chromatograms with calibration filled in.
Note:
The equations used for the calculation of Kovats Indexes are described in the chapter "Calibration Options"
Percentage representation of peak area or height.
Shows the width of the peak in half of its height.
Shows calculated amount of particular substance in units x stated in the calibration file by the Units - Compound parameter of the Calibration Options dialog. These units may by overridden by units entered due to scaling in the Units After Scaling field of the Method Setup - Calculation dialog or Units field of the Scale section on the Chromatogram - Results tab. See the Appendix 1 below.
Shows the percentage amount of the corresponding substance. The total amount is given by the sum of the corrected amounts of particular compounds or by the Amount parameter from the heading of the chromatogram if this is other than zero. The Amount parameter can also be set additionally in the Scale section on the Chromatogram - Results tab. See the Appendix 2 below.
Shows the type of identified substance. The type may be a combination of many different descriptions from the following table, as it applies to the given peak:
List of possible peak types
| Peak Type | Description |
|---|---|
| Ordnr | - Peak which is neither a reference peak nor internal standard. |
| Refer | - Reference peak. |
| ISTD1..10 | - Peak of internal standard with the internal standard number. |
| By XXX | - Indication that the responses of the peak are calculated using the said ISTD peak (in ISTD calculations) and/or by the response of different peak (set using the Calculate By function in the Calibration window). |
| Grp | - Indication of calibrated group. |
| Named Grp | - Indication of named group, if it is set in the Calibration window. |
| CF | - Indication that the peak uses different Correction Factor then 1. |
| Free | - Freely calibrated substance (Free Calibration). The calibration curve is not used for the calibration calculation but rather the response coefficient of the substance (Response Factor) from the main Calibration Table. |
| - Empty cell is an indication that calculation have not been performed for the given compound. | |
| Error | - Indication that calculation for this row could not be performed. Two most frequent reasons for this error are: Amount in the calibration is set to 0 or because a part of the calibration curve would result in wrong evaluation of negative Amount. In case Error is displayed for all rows see further description of the error displayed in the header of the Result table. |
The information may be complemented by the failed result of the linearity check (as defined by the Curve Check item in the Calibration Options dialog), in which case the Error (Curve Check) inscription is shown prior to the Peak Type value. Successful checks are not shown.
The Peak Type column may also indicate the fact that the amount is less than limit of detection (LOD) or quantification (LOQ). In such case the column will also display "< LOD" or "< LOQ" inscription. The LOD and LOQ limits can be set in the LOD and LOQ columns of the global calibration table (for more details see also chapter Calibration)
The last type of the information given in the Peak Type column is the way how the response for the peak was calculated. This type of information is shown in brackets after the peak type definition only in case the identification or calculation was not performed in the ordinary way. If the peak was identified using the Force Peak Name function from the Chromatogram window, the Forced label is shown in the brackets. In case the response of the peak was calculated using the response factor of another peak (as defined in the Calibration window), the by [compound] label is shown, where [compound] is substituted by the name of the peak whose response was used for the calculation. In case a Correction Factor for the peak differs from 1 (as defined in the Calibration window), the CF label is displayed. These three labels can be freely combined, according to the actual settings in the Chromatogram and Calibration windows.
Displays the name of the substance from calibration file corresponding to the relevant peak on the basis of the basic identification of retention times. If a certain peak is not identified, the Peak Type and Compound Name columns for that peak are empty and the Amount field value is zero (unless the Response Factor parameter in the Unidentified peaks section is not equal to zero).
Sows the calculation of the peak's retention (Kovats) index in case the settings for the calculation are done in the calibration file. The column is hidden by default.
Centroid [min], Variance [min2], Skew [-], Excess [-], Asymmetry [-], Capacity [-], Efficiency [th.pl], Eff/l [t.p./m], Resolution [-], Symmetry/Tailing [-]
These columns belong to functions used in the Performance Table on the Chromatogram - Performance tab. When displayed in the Result Table, the calculation of Efficiency and Eff/l columns is performed according to the Column Calculation selector on the Performance tab, remaining columns are calculated according to the mode under which they appear in the Performance Table regardless of the Column Calculation selector state. More information can be found in the chapter "Performance Table "
Displays the peak according to whose response is the given peak calculated. The Calculate By calculation is set in the Calibration window. The column is hidden in the default desktop.
This is a predefined User Column displaying ratio of Response and Amount. The column is hidden in the default desktop.
Response Factor = Amount / Response
It is possible to calculate response factor in inverse form ( RF = Response / Amount ) by checking Response Factor as Response / Amount checkbox in Calibration Options.
Displays the value of the Correction Factor as set for the peak in the Calibration window. The column is hidden in the default desktop.
This row is visible only in the case that peak groups are used, once for each group. It shows the sum of values of individual peaks belonging to the group in the given column (only for columns when such total makes sense).
This row shows the total value of a given column (only for columns when such total makes sense). For example, Total is not calculated for the Response column (the data may have different Bases). If a non-zero Amount value is given in the Common for All Signals section of the window, the Total of the Amount column is replaced by this value. Values for ISTD peaks and Groups are not included in the Total values (this applies on the Area, Height, and Amount columns).
This row is visible only in the case that Named Groups are used, once for each group. It shows the sum of amounts of individual peaks belonging to the named group. Unlike for standard groups, a peak may belong to more than one named group. Color, if set in the calibration, will be displayed in the header of the first column.
The calculation is determined by the type of calibration:
| Calculation | Formula |
|---|---|
| ESTD, NORM |
|
| ISTD | If the calibration does not have ISTD amount filled on any level, this equation is used. Same amount of the internal standard is considered to be present both in samples and in calibration standards, ISTD Amount values everywhere in Clarity are set to 0. |
| ISTD | If the calibration contains ISTD Amount filled on at least one calibration level, following equation is used. ISTD Amounts then must be filled in everywhere in Clarity, both in unknown samples and in the calibration file, and these amounts may differ. |
where:
Explanation of used symbols
| Symbol | Description |
|---|---|
| Amounti | - Amount of component "i" in sample. |
| Ri | - Response of the "i" component (height or peak area). |
| RISTD | - Response of internal standard (height or peak area). |
| CFi(Ri) | - Amount of "i"th component read out from corresponding calibration curve. |
|
- Amount of "i"th component read out from corresponding calibration curve displaying dependence of response ratio (Ri/RISTD) of calibration standard on "i"th component amount in that calibration standard for given substance. |
|
- Value read out from corresponding relative calibration curve, displaying dependence of response ratio (Ri/RISTD) of calibration standard on "i"th component amount ratio (Amounti/AmountISTD) in that calibration standard for given substance. |
| AmountISTD | - Amount of internal standard added to unknown sample. This value must be entered into both the ISTD Amount field in the chromatogram heading and the Amount column of the calibration, or to none of these places in case all ISTD Amount values are the same (optional, the calculation works the same if the same amounts are included on both places). |
| ScaleFactor | - Multiplication factor. |
In the case that the corresponding peak is not found in the calibration file, the Uncal. Response parameter from the Method Setup - Calculation dialog is used for the calculation instead of deriving the value from the calibration curve, according to the formulas:
Calculation formulas for non-calibrated peaks
| Calculation | Formula |
|---|---|
| ESTD |
|
| ISTD |
|
| NORM | The CFi(Ri) value is calculated exactly like in the ESTD calculation, but with peaks not found in the calibration, no Amount[%] value may be given in this case and the Peak Type column shows the Error inscription. |
Caution:
When using a different type of calibration than the type you selected, the used type of calibration is indicated above the table, stating the reason for the change.
Calculation of percentage representation:
