Library Manager lets you browse and manage the contents of your compound library. Your compound library contains the compounds that are available for you to use when profiling a spectrum.
The Compound Table in Library Manager displays compounds in your library that are part of the currently selected Compound Set. When you first open Library Manager, the All Compounds set is selected, so the Compound Table displays all of the compounds in your library. When you select a different Compound Set, the Compound Table changes to show the contents of that set.
You can use the Compound Table to help you build new Compound Sets via drag-and-drop and context menus. You can also use text-based Quick Searches to temporarily filter the compounds that are currently visible in the Compound Table.
There are many columns available for display in the Compound Table. You can choose to display any number of them, with a minimum of one visible at any time, and you can drag the column headers to position the columns in any order that you like. You can sort the Compound Table on any column by clicking its column header. Click the header again to reverse the sort order.
Tips and Tricks
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You can add compounds to a Compound Set by dragging them from the Compound Table onto the name of the Compound Set, or by right-clicking on the compound and selecting Add to New Compound Set or Add to. You cannot add compounds to Smart Compound Sets or to Reference Compound Sets in this manner.
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You can view a compound in the Compound Table in more detail by double-clicking on it or by right-clicking on its entry and selecting Send to Compound Builder.
The number of compounds appearing in the Compound Table can make it difficult to locate a particular compound. The Quick Search box helps with this by letting you enter search text to temporarily limit the number of compounds appearing in the Compound Table. The search text can by based on compound name, compound IDs, or comments.
How do I limit the compounds visible in the Compound Table?
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Click the binoculars icon at the left edge of the search box to choose the type of search to use (Compound Name, Compound Comment, Chenomx Compound ID or All). If you do not select something here, the default search type is All.
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Type your search terms in the Quick Search box at the top left of the Compound Table. The contents of the Compound Table updates to show only compounds matching your current search terms.
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Click the X at the right edge of the search box or press escape to cancel the search and restore the full list of compounds. Clearing a search also resets the search type to All.
Tips and Tricks
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Use Quick Searches to temporarily limit the number of compounds displayed. Use compound sets to define a more permanent working set of compounds for profiling a particular spectrum.
Related Topics
You can add compounds to your compound library from a variety of sources, including compound files, compound packs, old Chenomx library files and ZIP (compressed) archives. Add Compounds lets you add compounds from all of these sources to your library, which in turn makes the compound signatures available for use in Profiler.
| Menu Location | Library > Add Compounds... |
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How do I add Chenomx Reference Compounds to my library?
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Open the Add Compounds wizard.
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Select Chenomx Reference Compounds, then click Next.
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Select the frequencies for which you would like to add Chenomx Reference Compounds.
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Click Finish to add the selected compounds.
How do I add other compounds to my library?
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Open the Add Compounds wizard.
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Select Importable Compounds, then click the Browse button (...).
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Select any combination of compound files (
.xcpd), compound packs (.pack), old Chenomx library files (.cnxlib), ZIP files (.zip) or folders containing any of these file types, then click Choose Files. -
Click Next.
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If you would like the compounds added to a new Compound Set, select the Track Imported Compounds checkbox and choose a name.
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Click Finish to add the selected compounds.
Tips and Tricks
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When you add compounds, the icon for any compound sets that were created or modified during the addition process will 'pulse' for a couple seconds to indicate that they were affected by the import.
Related Topics
When you collaborate with other people on a project, you may have different compounds in your library than your collaborator has in theirs. Exporting compounds allows you to exchange compound signatures with other users of Chenomx NMR Suite. You can then be certain that you and your collaborator are always fitting spectra for that project using the same set of compound signatures.
You can export compounds as a single compound pack file
(.pack), or as collections of individual
signature files (.xcpd).
| Menu Location | Compounds > Export Selected Compounds to > Compound Pack (.pack)... |
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How do I export compounds to a compound pack?
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Select the compounds or compound set that you would like to export.
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Open the Export Compound Pack dialog.
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Enter a name for the exported compound pack. The entered name is used to label the associated compound set when the compound pack is added to another library via Library Manager.
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Click OK.
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In the resulting file chooser, locate the folder in which you would like to save the compound pack.
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In the File Name field, type the new name for the compound pack file. The specified name can be different from the name of the compound pack itself, but you may prefer to keep them the same.
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Click Save.
| Menu Location | Compounds > Export Selected Compounds to > Compound Files (.xcpd)... |
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How do I export compounds to individual compound files?
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Select the compounds or compound set that you would like to export.
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On the Compounds menu, click Export Selected Compounds to > Compound Files (.xcpd)....
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In the resulting file chooser, select the folder in which you would like to save the compound files.
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Click Select.
Tips and Tricks
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If you only want to export compounds that were actually profiled in a particular spectrum, load the spectrum in Profiler and use Export Profiled Compounds.
Related Topics
Library Manager can let you view the details and lineshape of any compound in your library by sending a copy of that compound to Compound Builder.
| Menu Location | File > Send to Compound Builder |
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How do I send a compound to Compound Builder?
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Select a compound in the Compound Table.
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Click Send to Compound Builder.
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Double-click on the compound in the Compound Table.
Tips and Tricks
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Changes that you make to compounds that you have sent to Compound Builder will NOT be automatically reflected in your compound library. If you want changes to appear in your library, you need to save them to an
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You can send multiple compounds to Compound Builder by selecting them in the Compound Table, right-clicking on your selection, and selecting Send to Compound Builder.
If you are certain that you no longer want a compound to be accessible in Chenomx NMR Suite, you can remove it from your library.
| Menu Location | Library > Selected Compounds > Remove |
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| Menu Location | Library > Remove Compounds > [Compound Set] |
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How do I remove compounds from my library?
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Select the compound that you would like to remove in the Compund Table.
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Click Selected Compounds > Remove.
How do I remove all compounds from a compound set?
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Click Remove Compounds > [Compound Set]. This will also remove the Compound Set itself.
Tips and Tricks
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When you have removed compounds from the library, you cannot recover them through Undo. If you still have the original compound files (
.xcpd) or compound packs (.pack) available, you can add them again.If you have removed Chenomx Reference Compounds from your library, you can easily recover them by running the Update Compounds or or the Add Compounds feature.
Whenever you run a new major version of NMR Suite for the first time, you will be prompted to update any Chenomx Reference Compounds that you have installed. If you choose not to update, your reference compounds will remain unchanged. In that case, you may wish to perform this update manually.
| Menu Location | Library > Update Compounds... |
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How do I manually update my reference compounds?
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You can choose to update to the latest version of the Chenomx Reference Library at any time. Click Update Compounds.
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Click Yes.
Tips and Tricks
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You can run Update Compounds at any time to restore your Chenomx Reference Compounds to the latest version. This can be useful for restoring missing compounds.
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Update Compounds will only update your library with the latest reference compounds that are available for your version of Chenomx NMR Suite. Newer versions of Chenomx NMR Suite will contain additional reference compounds that cannot be obtained by running this feature.
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It is recommended that you use the same version of the Chenomx Reference Library when profiling spectra that belong to the same study.
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If required, previous versions of the Chenomx Reference Library can be downloaded from our website at http://www.chenomx.com/compounds. A version history is also available.
Related Topics