Results table parameters (for single file or batch format experiments) - BioPharma Finder Software - Results table parameters (for single file or batch format experiments) - BioPharma Finder Software - BioPharma Finder Software

Component level

+/− (button)

Select to show or hide the lower level of charge state information related to the currently selected component row.

Y

Y

Y

Y

Y

Y

Row number (bolded)

The number assigned to each visible component row in the table. This sequential numbering does not change when you sort or filter the table.

Y

Y

Y

Y

Y

Y

(Check box)

Selects/deselects a component row.

To select/deselect the checkboxes for all component rows at once, select or clear the checkbox in the column header.

If you filter the table, the following occurs:

• In a filtered view, selecting all checkboxes affects only the filtered (currently visible) component rows.
• In a filtered view, deselecting all checkboxes affects all the component rows in the table, currently visible or not.

Y

Y

Y

Y

Y

Y

Level

Indicates that the row is displaying component information (top level).

Y

Y

Y

Y

Y

Y

Monoisotopic Mass

Displays a weighted average of the monoisotopic masses of each charge state.

Y

Y

Y

Average Mass

Displays the calculated mass of a component based on the average atomic weight of each element.

Y

Y

Y

Intensity

Displays the sum of the intensities of the peaks for a charge state.

Y

Y

Y

Sum Intensity

Displays the sum of the intensities of the charge states (isotopic clusters) comprising a component.

At the component level, sum intensities are measurements of the relative abundance of components.

At the charge state level, sum intensities are the actual intensities of peaks in the m/z spectra.

*Displays the sum of all the successive component peaks identified by successive sliding windows.

Y

Y

Y*

Relative Abundance

Displays the relative abundance of the peaks in the sample that are above the Rel. Abundance Threshold (%) parameter specified in the processing method.

The application assigns the most abundant peak (the largest value in the Sum Intensity (for Xtract) or Intensity (for ReSpect) column) in a deconvoluted spectrum a relative abundance of 100 percent.

The number in the Relative Abundance column represents the Sum Intensity (for Xtract) or Intensity (for ReSpect) value for a particular peak divided by the largest value in the Sum Intensity or Intensity column, multiplied by 100.

*For auto peak detection experiments, this value is based on each peak.

Y

Y*

Y

Y

Y*

Y

Fractional Abundance

Displays the fractional abundance of a component peak, which is the abundance for that peak relative to the total abundance of all peaks in the spectrum, expressed as a percentage.

The sum of all fractional abundances of all peaks in a deconvoluted spectrum is 100 percent.

*For auto peak detection experiments, this value is based on each peak.

Y

Y*

Y

Y

Y*

Y

Score

Displays the quality score of a deconvolved component.

See Quality score algorithm.

Y

Y

Y

Number of Charge States

Displays the number of detected charge states (isotopic clusters) for a given deconvolved mass.

This is the same number as the number of rows at the charge state level, below the component level.

Y

Y

Y

Y

Y

Y

Charge State Distribution

Displays the range of charge states detected for the component, from the lowest to the highest charge state.

Y

Y

Y

Y

Y

Y

Average Charge

Displays the average of the charge numbers in the Charge State column.

Y

Y

Number of Detected Intervals

Displays the number of sliding windows within the specified tolerances where the application found the specified component.

Y

Y

Mass Std Dev

Displays the standard deviation (in Da) of the Delta Mass values for all the charge states of a component.

Y

Y

PPM Std Dev

Displays the standard deviation (in ppm) of the Delta Mass values for all the charge states of a component.

Y

Y

Delta Mass

Displays the difference between the mass of the component and the mass of the highest-intensity component.

Y

Y

Y

Y

Y

Y

Scan Range

Displays the scan range of the sliding windows deconvolution for a component.

Y

Y

Start Time (min)

Displays the start of the retention time (RT) range (in minutes) of the averaged source spectrum for the given component.

*For sliding windows experiments, displays the start of the RT range that the sliding windows deconvolution covered.

Note: For mixed MS and MS2 data, the start time of the range might not necessarily be the first full MS scan that was used to generate that component.

Y

Y

Y*

Y

Y

Y*

Stop Time (min)

Displays the end of the retention time (RT) range (in minutes) of the averaged source spectrum for the given component.

*For sliding windows experiments, displays the end of the RT range that the sliding windows deconvolution covered.

Note: For mixed MS and MS2 data, the end time of the range might not necessarily be the first full MS scan that was used to generate that component.

Y

Y

Y*

Y

Y

Y*

Apex RT

Displays the retention time (RT) for the chromatographic peak when a component has a calculated XIC.

Visible only when the Calculate XIC checkbox is selected in the processing method.

For sliding windows experiments, displays the RT for the chromatographic peak from the abundance trace.

Y

Y

Y*

Y

Y

Y*

Charge state level

Row number (bolded)

The number assigned to each visible charge state row in the table.

This sequential numbering does not change when you sort or filter the table.

Y

Y

Y

Y

Y

Y

Level

Indicates that the row is displaying charge state information (lower level).

Y

Y

Y

Y

Y

Y

Charge State

Displays the specific charge state for a selected component.

Charge state refers to the imbalance between the number of protons and the number of electrons in a molecular species (or an ion adduct).

Y

Y

Y

Y

Y

Y

Calculated Monoisotopic m/z

Displays the mass-to-charge ratio of the calculated monoisotopic mass for a specific charge state.

Y

Y

Monoisotopic Mass of Charge State

Displays the detected monoisotopic mass for a specific charge state.

Y

Y

Most Abundant m/z

Displays the mass-to-charge ratio of the most abundant isotope (or the height of the tallest peak in the isotopic distribution).

Y

Y

Charge Normalized Intensity

Displays the ratio of the intensity of a specific charge state divided by the highest intensity charge state for a component.

Y

Y

Fit %

Displays the quality of the match between a measured isotope pattern and an averagine distribution of the same mass.

This column displays a value between 0 and 100 percent.

A fit factor of 100% means that the observed peaks in the measured isotope profile are identical to those in a theoretical averagine distribution and that any missing peaks fall below a restrictive threshold.

Y

Y

Fit % Left

Displays the quality of the match between a measured isotope pattern and an averagine distribution one Da smaller than the calculated monoisotopic mass.

Y

Y

Fit % Right

Displays the quality of the match between a measured isotope pattern and an averagine distribution one Da larger than the calculated monoisotopic mass.

Y

Y

Intensity

Displays the intensity of a specific charge state (isotopic cluster).

Y

Y

Y

Y

MZ Centroid

Displays the centroid position of the charge state (isotopic cluster).

Y

Y

Calculated Mass

Displays the mass associated with the MZ Centroid parameter value.

Y

Y

Measured Average m/z

Displays the average mass-to-charge ratio of a charge state (isotopic cluster) in the source spectrum.

Y

Y

Measured Average Mass

Displays the average mass calculated from the measured mass-to-charge ratio and the charge state.

This value represents the deconvolved mass for a particular charge state.

Y

Y

Delta Mass (Da)

Displays the difference between the average mass for a component and the calculated mass for a specific charge state (in Da).

Y

Y

Delta Mass (ppm)

Displays the difference between the average mass for a component and the calculated mass for a specific charge state (in ppm).

Y

Y