The present invention relates to a method for performing liquid chromatography purification of one or more target molecules from a sample comprising: providing an eluent flow having one or more target molecules, measuring an output parameter indicative of the content of the one or more target molecules in the eluent flow, storing output parameter data, and dividing the eluent flow into consecutive eluent fractions, dividing the output parameter data into corresponding data fractions, in each data fraction obtaining a value indicative of characteristic behavior of the measured output parameter, identifying trends in the measured output parameter based upon the obtained value in consecutive data fractions, and identifying peak(s) in the measured output parameter correlated to eluent fractions based upon the identified trends, whereby information of identified peak(s) and correlated eluent fraction(s) can be presented and purified sample(s) from the eluent may be collected.

Systems and methods are disclosed for identifying actual XIC peaks of compounds of interest from samples so that more accurate expected retention times and more accurate expected retention time windows can be calculated. In one system, an actual XIC peak is identified using standard samples. The ratio of the quantity of the compound of interest in any two different samples is known, so this ratios is compared to the intensities of the XIC peak calculated in the two samples to identify an actual XIC peak. In another system, an actual XIC peak is identified using information about other compounds of interest in a plurality of samples. It is known that the XIC peaks of compounds of interest in the same samples have a similar distribution of retention times across those samples, so the distributions of retention times of XIC peaks are compared to identify actual XIC peaks.

The application provides a processor and processing method. The processor includes a task segmentation device configured to perform task segmentation according to a task segmentation granularity and a hardware resource division device configured to divide hardware resources of the processor according to a task segmentation result. The processor and processing method provided by the application improve the processing performance and reduce the overhead by performing task segmentation and configuring different hardware according to task segmentation.

The present disclosure provides component analysis methods including a measurement process and an analysis process.

A chromatograph mass spectrometer for performing SIM measurement and/or MRM measurement on a plurality of target components includes: a memory 41 for previously storing measurement conditions created for each of the target components, the measurement conditions including an SIM measurement ion or an MRM transition, a measurement execution time period, and an initial dwell time; a measurement time divider 42 for dividing an entire measurement time into a plurality of partial time periods having different combinations of measurements executed in the same time period; a time period input receiver 43 for receiving an input for selecting one of the partial time periods; a sensitivity information input receiver 45 for receiving an input of sensitivity information relating to the measurement conditions executed in the selected partial time period; a dwell time calculator 47 for calculating a changed dwell time by increasing or reducing the initial dwell time according to details of the input of the sensitivity information; and a loop time calculator 48 for calculating a loop time from the changed dwell time and outputting the calculated loop time.

A method and apparatus are provided for characterizing a product sample for example in comparison to a reference sample using a sensor such as a gas chromatograph or a MOS sensor. This characterization may comprise an indication of whether or not the product sample conforms to a quality criterion. The comparison of the sensor output measurements for the product sample is compared to maximum and minimum value curves, which may be derived from measurements of the reference sample, whereby adjacent samples outside the envelope defined by these maximum and minimum values are grouped together. A dissimilarity index may be determined for the anomalous values as a whole, or on a per group basis. The groups may be classified depending on the shape they describe, in particular the presence, or not, of peaks, and correspondingly the shape of the corresponding part of the envelope. These determinations may then be used as the basis of the conformity indication, and also the basis for attempting to identify the cause of any anomalies, in particular the identification of foreign components.

A system and method for processing data in chromatographic systems is described. In an implementation, the system and method includes processing data generated by a chromatographic system to generate processed data, analyzing the processed data, and preparing and providing results based on the processed data.

A known compound and at least one adduct, modified form, or peptide of the known compound are separated from a sample mixture and analyzed. An XIC is calculated for each of M product ions of the known compound and L product ions of the at least one adduct, modified form, or peptide. A first XIC peak group is calculated from the M XICs and a second XIC peak group is calculated from the L XICs using curve subtraction. Representative first and second XIC peaks are selected for the two XIC peak groups. The retention time of the second XIC peak is shifted by an expected retention time difference found from a database. The retention time of the first XIC peak is verified as the retention time of the known compound if the difference of the retention times of the first and second XIC peaks is within a threshold.

A first trend chart and a second trend chart are displayed along with a chromatogram. The first trend chart is generated based on a plurality of first representative value arrays obtained from a plurality of mass spectra. The second trend chart is generated based on a plurality of second representative value arrays obtained from the plurality of mass spectra. A mass spectrum stable period is determined based on the first trend chart and the second trend chart.

Disclosed are methods for improving compound detection and characterization. Methods for characterizing a sample are disclosed. The methods can include providing a sample to a liquid chromatography system capable of sample separation to generate sample components; analyzing sample components by multiplexed targeted selected ion monitoring (SIM) to generate an inclusion list; and performing iterative mass spectral data-dependent acquisition (DDA) from the inclusion list, to identify individual sample components thereby characterizing the sample. In one example, multiplexed targeted SIMs and iterative MS2 DDA acquisition is used to increase robust compound identification for cell culture medium analysis.