Results table parameters (multiconsensus format experiments) - BioPharma Finder Software - Results table parameters (multiconsensus 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 (mean)

Displays the average of the Monoisotopic Mass values from all of the raw data files used for the experiment.

Y

Y

Y

Monoisotopic Mass CV (ppm)

Displays the coefficient of variation (CV) (in ppm) of the Monoisotopic Mass values from all of the raw data files used for the experiment.

Y

Y

Y

Average Mass (mean)

Displays the average of the Average Mass values from all of the raw data files used for the experiment.

Y

Y

Y

Average Mass CV (ppm)

Displays the coefficient of variation (CV) of the Average Mass values from all of the raw data files used for the experiment.

Y

Y

Y

Matched Mass Error (ppm or Da) (mean)

Displays the average of the Matched Mass Error (ppm/Da) values from all of the raw data files used for the experiment.

Visible only for target matching experiments.

Y

Y

Y

Y

Y

Y

Matched Mass Error (ppm or Da) %CV

Displays the CV percentage of the Matched Mass Error (ppm/Da) values from all of the raw data files used for the experiment.

Visible only for target matching experiments.

Y

Y

Y

Y

Y

Y

Intensity (mean)

Displays the average of the Intensity values from all of the raw data files used for the experiment.

Visible only for experiments without conditions.

Y

Intensity %CV

Displays the CV percentage of the Intensity values from all of the raw data files used for the experiment.

Visible only for experiments without conditions.

Y

Sum Intensity (mean)

Displays the average of the Sum Intensity values from all of the raw data files used for the experiment.

Visible only for experiments without conditions.

Y

Y

Y

Y

Y

Y*

Sum Intensity %CV

Displays the CV percentage of the Sum Intensity values from all of the raw data files used for the experiment.

Visible only for experiments without conditions.

Y

Y

Y

Y

Y

Y

Score (mean)

Displays the average of the Score values from all of the raw data files used for the experiment.

Y

Y

Y

Score %CV

Displays the CV percentage of the Score values from all of the raw data files used for the experiment.

Y

Y

Y

Number of Files Observed

Displays the number of raw data files within which the component was detected.

Visible only for experiments without conditions.

Y

Y

Y

Y

Y

Y

Delta Mass (mean)

Displays the average of the Delta Mass values from all of the raw data files used for the experiment.

Y

Y

Y

Y

Y

Y

Apex RT (mean)

Displays the average of the Apex RT (sliding windows) or Apex RT (XIC) values from all of the raw data files used for the experiment.

*Visible only when the Calculate XIC checkbox is selected.

Y*

Y*

Y

Y*

Y*

Y

Apex RT %CV

Displays the CV percentage of the Apex RT (sliding windows) or Apex RT (XIC) values from all of the raw data files used for the experiment.

*Visible only when the Calculate XIC checkbox is selected.

Y*

Y*

Y

Y*

Y*

Y

Intensity (Condition) (mean)

Displays the average of the Intensity values from all of the raw data files grouped under the Condition for the experiment.

Visible only for experiments with conditions.

Y

Intensity (Condition) %CV

Displays the CV percentage of the Intensity values from all of the raw data files grouped under the Condition for the experiment.

Visible only for experiments with conditions.

Y

Sum Intensity (Condition) (mean)

Displays the average of the Sum Intensity values from all of the raw data files grouped under the Condition for the experiment.

Visible only for experiments with conditions.

Y

Y

Y

Y

Sum Intensity (Condition) %CV

Displays the CV percentage of the Sum Intensity values from all of the raw data files grouped under the Condition for the experiment.

Visible only for experiments with conditions.

Y

Y

Y

Y

Number of Files (Condition)

Displays the number of raw data files, grouped under the Condition, within which the component was detected.

Visible only for experiments with conditions.

Y

Y

Y

Y

Y

Y

Raw data file level

+/− (button)

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

Y

Y

Y

Y

Y

Y

Row number (bolded)

The number assigned to each visible raw data file 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 raw data file row.

To select/deselect the checkboxes for all raw data file 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) raw data file rows.
• In a filtered view, deselecting all checkboxes affects all the raw data file rows in the table, currently visible or not.

Y

Y

Y

Y

Y

Y

Level

Indicates that the row is displaying raw data file information (middle level).

Y

Y

Y

Y

Y

Y

Raw File Name

Displays the name of the raw data file.

Y

Y

Y

Y

Y

Y

Condition

Displays the condition assigned to the raw data file (if any).

Y

Y

Y

Y

Y

Y

Monoisotopic Mass

Displays the Monoisotopic Mass for a specific raw data file.

Y

Y

Y

Average Mass

Displays the Average Mass for a specific raw data file.

Y

Y

Y

Intensity

Displays the sum of the intensities of the peaks for a charge state for a specific raw data file.

Y

Sum Intensity

Displays the sum of the intensities of the charge states (isotopic clusters) comprising a component for a specific raw data file.

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

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

Y

Y

Y*

Y*

Relative Abundance

Displays the Relative Abundance for a specific raw data file.

This value is 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, and then 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 for a specific raw data file.

This value is the abundance of a 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 for a specific raw data file.

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 for a specific raw data file.

Y

Y

Y

Y

Y

Y

Charge State Distribution

Displays the range of charge states detected for a component, from the lowest to the highest charge state for a specific raw data file.

Y

Y

Y

Y

Y

Y

Average Charge

Displays the average of the charge numbers in the Charge State column for a specific raw data file for a specific raw data file.

Y

Number of Detected Intervals

Displays the number of sliding windows within the specified tolerances where the application found the component of interest for a specific raw data file.

Y

Y

Mass Std Dev

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

Y

PPM Std Dev

Displays the difference between the mass of the component and the mass of the highest-intensity component for a specific raw data file.

Y

Scan Range

Displays the scan range of the sliding windows deconvolution for a component for a specific raw data file.

Y

Y

Start Time (min)

Displays the start of the retention time (RT) range (in minutes) for a specific raw data file.

Y

Y

Y

Y

Y

Y

Stop Time (min)

Displays the end of the retention time (RT) range (in minutes) for a specific raw data file.

Y

Y

Y

Y

Y

Y

Apex RT

Displays the Apex RT (sliding windows) or Apex RT (XIC) value for a specific raw data file.

*Visible only for sliding windows experiments or when Calculate XIC is selected.

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 within a component 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