Interactive analysis of mass spectrometry data
First Claim
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1. A computer-implemented method for dynamically preparing reports from a mass spectrometry data set associated with a molecule of interest, the method comprising:
- displaying an inspection view component of a user interface, the inspection view component comprising a table window and a spectrum window, the table window comprising a table of values comprising a plurality of mass-to-charge ratio values associated with the molecule of interest, the spectrum window comprising a graph indicating one or more peaks corresponding to mass-to-charge ratios of at least one molecular species associated with the molecule of interest;
receiving, from a user, one or more selections modifying one or more of the table of values and the graph indicating the one or more peaks;
displaying a report view component of the user interface comprising tabs selectable by the user, each of the tabs configured to display all or a subset of information from the modified one or more of the table of values and the graph indicating the one or more peaks of the inspection view component of the user interface;
selecting, in response to a user'"'"'s tab selection, one of the tabs to display within the report view component of the user interface, wherein the selected tab comprises an active element window configured to display a first subset of pivot functions, a display window configured to display one or more of a report table and a report graph based on the first subset of pivot functions, and a storage window configured to display a second subset of pivot functions that is not displayed in the display window;
moving, in response to a user-input move command, one or more pivot functions between the active element window and the storage window to adjust the one or more of the report table and the report graph displayed in the display window; and
saving the pivot functions contained in the active element window as the first subset of pivot functions associated with the selected tab.
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Abstract
This invention relates to graphical user-interactive analysis of data, including in particular, mass spectrographic data analysis, as well as methods and software for generating and using such. One aspect provides user-customizable reports, including methods and apparatuses for generating customizable pivot tables and graphs specific to mass spectrographic data.
69 Citations
27 Claims
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1. A computer-implemented method for dynamically preparing reports from a mass spectrometry data set associated with a molecule of interest, the method comprising:
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displaying an inspection view component of a user interface, the inspection view component comprising a table window and a spectrum window, the table window comprising a table of values comprising a plurality of mass-to-charge ratio values associated with the molecule of interest, the spectrum window comprising a graph indicating one or more peaks corresponding to mass-to-charge ratios of at least one molecular species associated with the molecule of interest; receiving, from a user, one or more selections modifying one or more of the table of values and the graph indicating the one or more peaks; displaying a report view component of the user interface comprising tabs selectable by the user, each of the tabs configured to display all or a subset of information from the modified one or more of the table of values and the graph indicating the one or more peaks of the inspection view component of the user interface; selecting, in response to a user'"'"'s tab selection, one of the tabs to display within the report view component of the user interface, wherein the selected tab comprises an active element window configured to display a first subset of pivot functions, a display window configured to display one or more of a report table and a report graph based on the first subset of pivot functions, and a storage window configured to display a second subset of pivot functions that is not displayed in the display window; moving, in response to a user-input move command, one or more pivot functions between the active element window and the storage window to adjust the one or more of the report table and the report graph displayed in the display window; and saving the pivot functions contained in the active element window as the first subset of pivot functions associated with the selected tab. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13)
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14. A computer-implemented method for dynamically preparing reports from a mass spectrometry data set associated with a molecule of interest, the method comprising:
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displaying an inspection view component of a user interface, the inspection view component comprising a table window and a spectrum window, the table window comprising a table of values comprising a plurality of mass-to-charge ratio values associated with the molecule of interest, the spectrum window comprising a graph indicating one or more peaks corresponding to mass-to-charge ratios of at least one molecular species associated with the molecule of interest; receiving, from a user, one or more selections modifying one or more of the table of values and the graph indicating the one or more peaks; displaying a report view component of the user interface comprising tabs selectable by the user, each of the tabs configured to display all or a subset of information from the modified one or more of the table of values and the graph indicating the one or more peaks from the inspection view component of the user interface; selecting, in response to a user'"'"'s tab selection, one of the tabs to display within the report view component of the user interface, wherein the selected tab comprises an active element window configured to display a first subset of pivot functions, a display window configured to display one or more of a report table and a report graph based on the first subset of pivot functions, and a storage window configured to display a second subset of pivot functions that is not displayed in the display window; toggling between the inspection view component and the report view component based on user input, and dynamically modifying the tabs in response to the user further modifying one or more of the table of values and the graph in the inspection view component; and generating a report from one or more of the tabs. - View Dependent Claims (15, 16, 17, 18, 19, 20)
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21. A non-transitory computer-readable medium with instructions stored thereon, that when executed by a processor, perform steps comprising:
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storing a mass spectrometry data set associated with a molecule of interest in a memory location; displaying an inspection view component of a user interface, the inspection view component comprising a table window and a spectrum window, the table window comprising a table of values comprising a plurality of mass-to-charge ratio values associated with the molecule of interest, the spectrum window comprising a graph indicating one or more peaks corresponding to mass-to-charge ratios of at least one molecular species associated with the molecule of interest; receiving, from a user, one or more selections modifying one or more of the table of values and the graph indicating the one or more peaks; displaying a report view component of the user interface comprising tabs selectable by the user, each of the tabs configured to display all or a subset of information from the modified one or more of the table of values and the graph indicating the one or more peaks from the inspection view component of the user interface; selecting, in response to a user'"'"'s tab selection, one of the tabs to display within the report view component of the user interface, wherein the selected tab comprises an active element window configured to display a first subset of pivot functions, a display window configured to display one or more of a report table and a report graph based on the first subset of pivot functions, and a storage window configured to display a second subset of pivot functions that is not displayed in the display window; toggling between the inspection view component and the report view component based on user input, and dynamically modifying the tabs in response to the user further modifying one or more of the table of values and the graph in the inspection view component; and generating a report from one or more of the tabs. - View Dependent Claims (22, 23, 24, 25, 26, 27)
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Specification