User features
Menu
- User is able to import PeakML file.
- User is able to save and override existing PeakML file.
- User is able to save the current entries to a new PeakML file.
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User is able to check,, uncheck or invert the check status of all rows in the Entry View widget.
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User is able to split peaks based on retention time.
- User is able to import IPA RData file and incorporate it into the imported PeakML.
- User is able to export RData file that can be imported into the IPA.
- User is able to open Preferences dialog.
- User is able to open Log dialog.
Preferences Dialog
- User is able change and save decimal points.
- User is able to view currently imported molecule databases.
- User is able to add a molecule database.
- User is able to remove a molecule database.
Log Dialog
- User is able to view log from current session.
Info Section
- User is able to view currently imported file name and number of peaks it includes.
Entry View
- User is able to view the retention time, mass, intensity and the sample count for each entry.
- User is able select an entry, highlighting it and reloading other widgets with relevant data.
- User is able to check multiple entries.
- User is able to delete all checked entries.
- User is able to see which entries have identities based on colour.
- User is unable to select delete checked if no values have been checked.
Filters View
- User is able to view existing filters, with the type indicated and details under settings.
- User is able to delete the selected filter reloading entries and all other details.
- User is able to add a mass filter, setting the maximum and minimum value or by supplying formula.
- User is able to add intensity filter, setting the minimum value.
- User is able to add retention time filter, with maximum and minimum value.
- User is able to add a filter to an annotation.
- User is able to add a sort by entry value.
- User is able to add a time-series sort.
Sets View
- User is able to view sets and measurements labelled in the same colour scheme.
- User is able to check and unchecked individual measurements or sets of multiple measurements. This toggles the visibility of plots on the peak plot.
Summary plots
- User is able to switch between plots.
- User is able to zoom, pan and reset the images of the plots.
- User is able to save the plots.
- User is able to view peak plot, colour coded to measurements.
- User is able to view derivative plot.
- User is able to view derivative plot on a log scale.
- User is able to switch between each derivative plot.
- User is able to view intensity plot.
- User is able to view intensity log plot.
- User is able to switch between each intensity plot.
Details View
- User is able to see details of annotations.
Identification View
- User is able to view details of an identity (ID, Formula, PPM, Adduct, Name, Class, Description, Prior probability, Posterior probability.
- User is able to edit entry.
- User is able to edit prior only when existing prior set.
- User is able to edit and save notes up to 140 characters in length.
- User is able to check multiple entries.
- User is able to delete all checked entries, which will revise the prior probabilities so they still sum to 1.
Molecule View
- User is able to view molecule, whatever the size of both molecule and screen.
Application features
Global
- In the application, the icon should be consistent and specific.
- In the application, the user should be able to adapt the size of the widgets to allow them to usable on their screen size (minimum resolution being 1280x720).
- In the application, details of exceptions should be saved to a log file.
- In the application, user actions should be saved into the log file as much as possible.
- In the application, all user input controls have validation to ensure only data of the appropriate type is entered. For the filters the possible entries are limited by the current values that can be filtered.
- In the applications, buttons are disabled if they action is not possible at the point. This includes editing or deleting rows when none selected.