Techniques and apparatus for an analytical data acquisition process are described. In one embodiment, for example, an apparatus may include logic to submit a sample list for acquisition via an instrument system, the sample list comprising a plurality of injections for a mass analysis system, generate a queue element in a queue for the sample list, the queue element representing the plurality of injections of the sample list to be performed by the at least one instrument system, the queue comprising a plurality of queue elements submitted by a plurality of users and to indicate a progress of each of the plurality of queue elements, and perform a control function on at least one of the plurality of queue elements responsive to user input, the control function comprising one of stopping, starting, or editing the at least one of the plurality of queue element. Other embodiments are described.

Exemplary embodiments provide methods, mediums, and systems for creating a processing activity map for an analysis workflow in a chromatography experiment. A result set for the analysis workflow may be created and maintained throughout various stages of the analysis workflow. When certain trigger conditions are met, the in-use version of the result set may be persisted. For example, a read-only historical archive copy of the result set may be created, while the previous version of the result set is used in further stages of the analysis workflow. The trigger conditions may include a number of situations such as moving backwards in the workflow and making a change, moving across gated step boundaries in the analysis workflow, or receiving an instruction to clear the result set. The persistent, historical copies of the result set may be used to support auditing of a compliance-driven analysis process.

Disclosed is a chromatography system (100) comprising: plural modules (1-25) including at least one pump and a column valve unit (8) connectable to plural chromatography columns; and a controller (600), the controller being operable to control the or each pump and the column valve to perform different chromatographic processes, including chromatography employing just one column, as well as chromatography employing two or more columns by selective valve opening in said unit. The system includes a housing (110) into which the plural modules (1-25) are interchangeably mountable in apertures of one generally vertical face of housing, the modules are adapted for selective fluidic interconnection by tubing substantially at said one face such that in use the modules and tubing occupy a generally vertically extending volume to minimize the footprint of the system.

A training method includes: acquiring a pseudo noise waveform indicating an assumed noise; acquiring a pseudo peak waveform not including the pseudo noise; generating a pseudo signal waveform by adding the pseudo noise waveform and the pseudo peak waveform; and updating an estimation model based on the pseudo signal waveform, in which the acquiring the pseudo noise waveform includes: causing an analysis device to execute noise measurement generating the pseudo noise waveform a plurality of times; calculating a similarity degree of a plurality of pseudo noise waveforms generated by the noise measurement performed the plurality of times; and executing prescribed processing according to the similarity degree.

Disclosed is an electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap. The electronic ID database includes a collection of various pesticides compound electronic ID information, intelligent matching values and collision energies. It is ordered according to the retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, adduct ions information, fragment ions information, collision energies, and the optimal full scan mass spectrum. The detection method includes sample pre-treatment, setting LC-Q-Orbitrap operating conditions and sample pesticide residue screening. Setting LC-Q-Orbitrap operating conditions contain setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find pesticide compounds electronic ID database. If matching, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is same, the result is recorded and displayed, and the screening is completed.

Techniques and apparatus for information assessment processes are described. In one embodiment, for example, a computer-implemented method for performing a review-by-exception process may include, via one or more processors of a computing device, accessing chromatography information generated via analyzing a sample using a mass spectrometry system, the chromatography information comprising at least one peak and at least one peak attribute for the at least one peak, determining posterior probability information for the chromatography information; generating an estimated peak model based on the posterior probability information, determining a confidence indicator for the estimated peak model, and generating an exception for the at least one peak responsive to the confidence indicator being outside of an exception threshold. Other embodiments are described.

Disclosed is a chromatography system (100) comprising: plural modules (1-25) including at least one pump and a column valve unit (8) connectable to plural chromatography columns; and a controller (600), the controller being operable to control the or each pump and the column valve to perform different chromatographic processes, including chromatography employing just one column, as well as chromatography employing just one column, as well as chromatography employing two or more columns by selective valve opening in said unit. The system includes a housing (110) into which the plural modules (1-25) are interchangeably mountable in apertures of one generally vertical face of housing, the modules are adapted for selective fluidic interconnection by tubing substantially at said one face such that in use the modules and tubing occupy a generally vertically extending volume to minimize the footprint of the system.

A chromatograph apparatus control device according to the present disclosure is a control device for controlling a chromatograph apparatus having the function of a liquid chromatograph and that of a supercritical fluid chromatograph. The control device includes a first-type method file creator configured to create a first-type method file describing a condition of an analysis by a liquid chromatograph; a second-type method file creator configured to create a second-type method file describing a condition of an analysis by a supercritical fluid chromatograph; and a batch file creator configured to create a single batch file including a plurality of records describing a group of method files including the first-type method file and the second-type method file, with one method file in each record.

A confirmation ion ratio allowable value calculation unit calculates a confirmation ion ratio allowable value when a target ion and confirmation ions are interchanged based on a preset confirmation ion ratio allowable value, and a peak identification processing unit identifies mass peaks of the target ion and the confirmation ions based on the confirmation ion ratio allowable value. A peak waveform processing unit calculates peak areas of the target ion and the confirmation ions, and a calibration curve creation unit creates calibration curves for quantification based on the target ion and the confirmation ions from a peak area of a target compound included in a standard sample. A quantitative value calculation unit obtains quantitative values while referring to a calibration curve corresponding to a peak area for a target compound included in an unknown sample. A quantitative analysis result display processing unit displays the quantitative values and chromatogram peak waveforms.

A non-transitory computer readable medium (CRM) storing computer readable program code for monitoring a state of a chromatography apparatus embodied therein that: receives one or more monitoring conditions that each include a determination condition for parameters related to measurements taken using the chromatography apparatus; and displays, in parallel and using a combination operational expression: a first conditional expression based on at least one of the monitoring conditions that make up a first combined conditional expression, wherein the first combined conditional expression is based on a first combined monitoring condition that combines all of the received monitoring conditions, and a second conditional expression based on at least one of the monitoring conditions associated with the first conditional expression.