NMR-6533 Scanner Tool control of display attributes DescriptionĬurrently, the scanner tool (when working with multiple datasets, rather than arrayed experiments) controls the display of datasets on charts by adding and removing them from the chart. We should raise the threshold energy so that failures are unlikely to happen, but major errors in the calculation are still caught. The calculated structure can depend on random starting values so the energy can vary such that sometimes the test fails. The rnalinks test in PyStructureTest generates a structure of an RNA molecule and checks that the energy of the structure is below a threshold. NMR-6498 PyStructureTest fails sometimes Description The Peak Simulator can do many types of multidimensional experiments, but doesn’t do simple 1D proton and carbon experiments. NMR-6481 Add 1D peak generator controls to peak simulator Description This should be added to NMRFx NMR-6480 Add Go (to peak) button to Peak Inspector and Table DescriptionĪdd a Go button (like NMRViewJ has) that sets the active chart to display the current peak (in inspector) or selected peak (in table). NMRViewJ allowed filtering the peaks displayed in the Peak Inspector/Tool by various criteria such as whether they are deleted or assigned. You should be able to do Commd or Control-C in Peak Table, and use a Copy from an Edit menu to copy the table of peaks to the clipboard in a format that can be pasted into Excel NMR-6474 Add Peak List Table DescriptionĪ table of peak lists should be added, similar to this one in NMRViewJ: NMR-6477 Add filter on peak status to Peak Tool Description Our verification tools are built upon our industry-leading NMR predictors, meaning they can help you confidently confirm the identity of even your most complex structures.NMRFx Analyst ChangeLog Release notes NMRFx 11.3.3 NMR-6429 Add menu item to load and execute python script DescriptionĪ menu item should be added in console window to give ability to load and run user scripts in the GUI NMR-6466 Copy peaks to clipboard from Peak Table Description Assign individual atoms with simple drag-and-drop.Our NMR software applications fully incorporate structure in your workflow for intuitive spectral analysis: Making assignments by switching between an image of your proposed structure (hand-drawn or electronic) and your data is an inefficient and error-prone process. Our built-in verification tools help you confirm structures quickly and confidently. Our software is designed with your workflow in mind. When your spectrum/analysis is complicated though, you may lack confidence in the structure. NMR is a useful tool for synthetic chemists to quickly and nondestructively confirm the suspected identity of their sample. Spend Less Time Asking “Did I Make What I Think I Made?”

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