The compound table is in the analysis view of the GUI (see Compound table). It lists all compounds with associated values computed by the solution during the processing step.

This is a list of all column available.
The column's order might not be the one listed in this document since it can be modified in the table view settings .
If one column is not displayed in your view, it might mean that the column is hidden in the table view settings .

The Flag column represents a summary of the status of the processing for the specific compund (type Icon).

Flying over the summary flag displays the list of all messages for all channels that were set during the processing of the compound.

• : all steps to process the specific compound are ok. Fly over the icon to see all messages.
• : at least 1 step to process the specific compound is in warning mode. Fly over the icon to see all messages.
• : at least 1 step to process the specific compound is in error mode. Fly over the icon to see all messages.

The Req column is set when compound is requested by the final customer (type Icon).

This information usually comes from the LIMS when it is properly connected.

The Modified column shows if the compound has been manually modified by a technician (type Icon).

When the technician change the automatic integration, all values are recomputed with the manual change and the symbol is set in the cell. This shows where manual intervention has been made. The human modifications can be cancelled by clicking on the chromatogram and push the icon {{}} in the chromatogram's menu.

The Event column represents the event number of the molecule in the sample (type Integer).

The event number comes from the raw data file for a specific batch.

The Peak Name column represents the name of the molecule (type String).

The State column represents the status of the molecule computed by the AI Assistant (type String).

• “Detected” (if AI score is in the range [90% - 100%]) means the AI Assistant believes there is a high probability of the presence of te molecule in the sample.
• “Suspected” (if AI score is in the range [10% - 90%]) means the AI Assistant has a doubt of the presence of the molecule in the sample and the technician should have a look.
• “Excluded” (if AI score is in the range [0% - 10%]) means the AI Assistant is sure there is no presence of the molecule in the sample.

The state is used to quickly filter molecules depending on the value and show only the molecules that should be validated by the technician (Detected and Suspected).

The AI Score column represents the AI Assistant interpretation of the probability of the presence of the molecule in the sample (type Percentage).

The highest score, the highest probability the molecule is present in the sample. The solution uses the AI score to automatically categorize the molecule.

• “Detected” (if AI score is in the range [90% - 100%]) means the AI Assistant believes there is a high probability of the presence of te molecule in the sample.
• “Suspected” (if AI score is in the range [10% - 90%]) means the AI Assistant has a doubt of the presence of the molecule in the sample and the technician should have a look.
• “Excluded” (if AI score is in the range [0% - 10%]) means the AI Assistant is sure there is no presence of the molecule in the sample.

The Validation column shows the technician's final decision after the review of the decision of AI Assistant (type Icon).

• : the molecule has been marked detected by the technician
• : the molecule has been marked non detected by the technician
• : the molecule has been marked to relaunch by the technician

The RT Cal column represents the Retention Time Calibration of the molecule using Standard Compounds (type Float).

Retention time calibration involves calculating or measuring the retention time of the compound on the chromatogram. This is achieved through the use of standard compounds with known retention times. A calibration curve is generated by plotting the retention times of standards against their known concentrations. The retention time of the compound in the sample is then determined by interpolating or extrapolating from this calibration curve.

The Dev ion ratio column represents the measurement of deviation in ion ratio of the molecule from expected values (type Float).

It indicates the extent to which the observed ion ratios deviate from the anticipated or ideal values. It is a measure of the precision and accuracy of the mass spectrometry instrument and the reliability of ion ratio-based compound identification.

The Ion ratio column is the ratio between the amount of ions detected on the main channel (quantitative) and the amount of ions detected on the second channel (qualitative).

It indicates the extent to which the observed ion ratios deviate from the anticipated or ideal values. It is a measure of the precision and accuracy of the mass spectrometry instrument and the reliability of ion ratio-based compound identification.

The Ion ratio column is the ratio between the amount of ions detected on the main channel (quantitative) and the amount of ions detected on the second channel (qualitative).

It indicates the extent to which the observed ion ratios deviate from the anticipated or ideal values. It is a measure of the precision and accuracy of the mass spectrometry instrument and the reliability of ion ratio-based compound identification.

The Ion ratio column is the ratio between the amount of ions detected on the main channel (quantitative) and the amount of ions detected on the second channel (qualitative).

The Conc(μg/l) column represents the volumic concentration of the molecule computed by the solution (type Float).

Volumic concentration is determined by constructing calibration curves using known concentrations of standard compounds. The area under the compound peak in the chromatogram is compared to the areas of standard peaks at various concentrations to calculate the concentration of the compound in the sample.

The Conc(mg/kg) column represents the massic concentration of the molecule computed by the solution (type Float).

It is computed from the volumic concentration using the weight of the sample and possibly formulas that can be configured. Informations can come from the configuration of the solution or from the LIMS when it is properly connected.

The Conc RDT(mg/kg) column represents the massic concentration of the molecule using a Rapid Detection Test (type Float).

It is used for making rapid decisions and initial assessments.

The Conc(μg/l) ch1 column represents the volumic concentration computed by the solution on the channel 1 (type Float).

Volumic concentration is determined by constructing calibration curves using known concentrations of standard compounds. The area under the compound peak in the chromatogram is compared to the areas of standard peaks at various concentrations to calculate the concentration of the compound in the sample.

The Conc(μg/l) ch2 column represents the volumic concentration computed by the solution on the channel 2 (type Float).

Volumic concentration is determined by constructing calibration curves using known concentrations of standard compounds. The area under the compound peak in the chromatogram is compared to the areas of standard peaks at various concentrations to calculate the concentration of the compound in the sample.

The Conc(μg/l) ch3 column represents the volumic concentration computed by the solution on the channel 3 (type Float).

Volumic concentration is determined by constructing calibration curves using known concentrations of standard compounds. The area under the compound peak in the chromatogram is compared to the areas of standard peaks at various concentrations to calculate the concentration of the compound in the sample.

The LQ(μg/l) column represents the limit of quantification for the molecule (type Float).

This parameter specifies the minimum concentration of the molecule that can be accurately quantified using the analytical method. It reflects the sensitivity of the method and its ability to detect and quantify substances at low concentrations. A lower LQ value suggests a more sensitive analytical method. This parameter is extracted from the LIMS when properly connected.

The Area column represents the area under the peak in the chromatogram (type Float).

The area under the compound peak in the chromatogram represents the total quantity of the compound in the sample. This area is calculated using integration algorithms in chromatography software.

The IS Area column represents the area under the internal standard peak in the chromatogram (type Float).

The internal standard is a known compound added to the sample for calibration and normalization. IS Area is the area under the peak of the internal standard. The ratio of the compound area to the internal standard area is often used for quantification. Both areas are calculated using integration algorithms in chromatography software

The Area Ratio column represents the ratio of compound area to internal standard area (type Float).

This ratio normalizes for variations in injection volume and instrument response, providing a reliable measure of concentration. Both areas are calculated using integration algorithms in chromatography software.

The ISTD column represents the internal standard for calibration and normalization (type String).

Internal Standard is a known compound added in a known concentration to the sample before analysis. It is used for calibration and normalization purposes in quantifying the compound in the sample. The internal standard concentration is known and used to correct for variations in sample preparation and instrument response.

The S/N column represents the Signal-to-Noise ratio for signal clarity (type Float).

Signal-to-noise ratio is calculated by dividing the peak height or area of the compound by the baseline noise level. A higher S/N ratio indicates a clearer and more reliable signal. Both the signal and noise levels are determined from the chromatogram.

The Level column represents (type Float).

The Conc target(μg/l) column represents (type Float).

The Height column represents the vertical distance from Baseline to peak's highest point (type Integer).

Peak height is the vertical distance from the baseline to the highest point of the compound peak. It provides information about the intensity of the compound signal. The height is measured from the chromatogram.

The Type column represents (type Float).

The M/Z column represents the Mass-to-Charge ratio (type Float).

It is calculated by dividing the mass of ions by their charge, providing a unique identifier for each ionized species.

The Ref ions column represents the specific Mass-to-Charge ratio Values for Identification (type Float).

Reference ions are specific mass-to-charge ratio values used as characteristic fragments for the compound. These ions are selected based on the compound's known fragmentation pattern in mass spectrometry. They serve as reference points for identification and verification of the compound.

The RT peak column represents (type Float).

The Dev RRT column represents (type Float).

The Dev Accu column represents (type Float).

The Actions column represents (type Float).

The XXX column is