The present invention is a data-processing device used for a chromatograph which continuously performs a series of analyses for components in each sample while sequentially introducing a plurality of samples into a column. The device includes: an input section configured to allow for input of information into a schedule table for a plurality of analyses, the schedule table describing an analysis condition including a combination of the values of a plurality of control parameters, the order of execution of the plurality of analyses, and information for identifying a sample to be subjected to each analysis; a chromatogram creating means configured to receive data sequentially collected during two or more analyses and create a joint chromatogram from the data if the two or more analyses have been continuously performed for the same sample according to the schedule table; and a display means configured to display the joint chromatogram.

A measurement data processing device for graphically displaying measurement data for a plurality of target compounds and for performing quantitative determination for the target compounds is provided. The device includes a display section 7, a measurement data input receiver 43 for receiving an input of measurement data, a screen-display numerical data creator 44 for performing a previously determined process on the measurement data to calculate a quantitative value and create numerical data for screen display, a screen-display graphical data creator 46 for performing a previously determined process on the measurement data for the target compounds to create graphical data for screen display after the numerical data for screen display have been created for all target compounds, and a display processor 48 for displaying, in the display section, the numerical data for screen display and the graphical data for screen display in a form that depends on a user operation.

A plurality of product ion spectra measured over plurality of cycles for each precursor ion mass selection window of two or more precursor ion mass selection windows are received from a tandem mass spectrometer. A product ion extracted ion chroatograms (XIC) is calculated for each precursor ion mass selection window of the two or more precursor ion mass selection windows from the plurality of product ion spectra for each precursor ion mass selection window. Two or more product ion XICs are produced. A two-dimensional binary bit matrix is generated to represent each product ion XIC of the two or more product ion XICs. For each XIC of the two or more product ion XICs, the binary bit matrix is separately initialized with binary values calculated from each XIC and the initialized binary bit matrix is compared with stored information about known compounds to identify known compounds of each XIC.

A compound is separated or introduced from a sample at a plurality of different times. The compound is ionized, producing an ion beam. The compound is selected and mass analyzed or the compound is selected, fragmented, and fragments of the compound are analyzed from the ion beam at the plurality of different times, producing a plurality of mass spectra. An XIC is calculated for the compound using the plurality of mass spectra. A chemical structure of the compound received in notation form is converted to a numerical vector using a processing algorithm operable to convert the notation form to the numerical vector. A plurality of peak shape parameters is calculated for the compound using the numerical vector and a machine trained model. A peak of the XIC is identified as a peak of the compound using the plurality of peak shape parameters and optionally a peak integration algorithm.

A review image is displayed prior to measurement of an analysis target sample. The review image includes a waveform image and a numerical value image showing a measurement condition determined for a measurement segment of interest. The waveform image includes a waveform portion which is a part of a chromatogram, and a marker array showing a period of a circulating ion measurement. The marker array includes a plurality of markers which are displayed in an overlapping manner over the waveform portion.

A plurality of product ion spectra measured over plurality of cycles for each precursor ion mass selection window of two or more precursor ion mass selection windows are received from a tandem mass spectrometer. A product ion extracted ion chroatograms (XIC) is calculated for each precursor ion mass selection window of the two or more precursor ion mass selection windows from the plurality of product ion spectra for each precursor ion mass selection window. Two or more product ion XICs are produced. A two-dimensional binary bit matrix is generated to represent each product ion XIC of the two or more product ion XICs. For each XIC of the two or more product ion XICs, the binary bit matrix is separately initialized with binary values calculated from each XIC and the initialized binary bit matrix is compared with stored information about known compounds to identify known compounds of each XIC.

A peak detection unit collects peak information by executing peak detection on data obtained by performing LC/MS analysis on a plurality of specimens. A same-component candidate extraction unit extracts peaks between which retention time difference and m/z value difference are equal to or smaller than an allowable value among two or more peaks for specimens different from each other, and a spectrum similarity determination unit calculates similarity between mass spectra corresponding to the two or more peaks, respectively. When the similarity is equal to or larger than a predetermined value, it is determined that the two or more peaks are attributable to the same component, and a retention-time and m/z-value correction unit performs correction to eliminate any difference between the retention times or m/z values of peaks. A data array table production unit produces a data array table based on peak information after the retention time and m/z value correction.

A review image is displayed prior to measurement of an analysis target sample. The review image includes a waveform image and a numerical value image showing a measurement condition determined for a measurement segment of interest. The waveform image includes a waveform portion which is a part of a chromatogram, and a marker array showing a period of a circulating ion measurement. The marker array includes a plurality of markers which are displayed in an overlapping manner over the waveform portion.

The present invention is a data-processing device used for a chromatograph which continuously performs a series of analyses for components in each sample while sequentially introducing a plurality of samples into a column. The device includes: an input section configured to allow for input of information into a schedule table for a plurality of analyses, the schedule table describing an analysis condition including a combination of the values of a plurality of control parameters, the order of execution of the plurality of analyses, and information for identifying a sample to be subjected to each analysis; a chromatogram creating means configured to receive data sequentially collected during two or more analyses and create a joint chromatogram from the data if the two or more analyses have been continuously performed for the same sample according to the schedule table; and a display means configured to display the joint chromatogram.

A measurement data processing device for graphically displaying measurement data for a plurality of target compounds and for performing quantitative determination for the target compounds is provided. The device includes a display section 7, a measurement data input receiver 43 for receiving an input of measurement data, a screen-display numerical data creator 44 for performing a previously determined process on the measurement data to calculate a quantitative value and create numerical data for screen display, a screen-display graphical data creator 46 for performing a previously determined process on the measurement data for the target compounds to create graphical data for screen display after the numerical data for screen display have been created for all target compounds, and a display processor 48 for displaying, in the display section, the numerical data for screen display and the graphical data for screen display in a form that depends on a user operation.