This service enables users to visualise the sensitivity of a given chemical transformation to user-defined reaction conditions. The output plots are closely based on an original concept from the Glorius research group.
This service is still a work in progress, and feedback is very welcome, whether feature requests, bug reports, or even highlighting a feature you find particularly useful so we know not to remove it when streamlining the service. To provide feedback, click the “Provide Feedback” link on the right side of the header, which will open up a form to submit it.
Select the reaction outcome of interest (e.g., commonly reaction yield, ee or de) and define the number of experimental parameters, or “test conditions”, that you have used in your sensitivity analysis. If you have conducted repeat reactions for each test condition, then select the number of experiments that were carried out.
Fill in the reaction outcome table. This can be navigated by keyboard with tab to move horizontally, enter to move vertically (holding shift to move in reverse), and escape to select the add/remove row buttons.
Tools for customisation of the plot are available beneath the plotting window. These can be use to change the plot style to "fan" mode (a circular bar chart, which is recommended for better readability), resize the plot and labels, adjust the colour scheme, and adjust how the data is ordered on the plot.
Most text inputs here support advanced formatting, which will be rendered on the plot just as it appears in
the editor. If you choose to export a data package, appropriate formatted text will be rendered in the
contained images and files, as much as supported by their various formats (e.g. Markdown doesn't support
underline, so underlines won't appear in .md files, but other formatting will still be
present).
Basic formatting: You can format text entered in the Title and various other fields by clicking on the formatting buttons in the toolbar that appears above the text-input boxes when they're selected, either by clicking a button then entering text, or by selecting text and then clicking a button. If the text is longer than the box can fit in one line, a scrollbar will appear at the right side of the box allowing you to scroll up and down lines of text.
This formatting is done through a LaTeX equation rendering engine, which results in some unavoidable quirks such as it always putting spaces around mathematical operators. If the renderer fails to parse the text, it will appear as a black bar on the chart. The most common cause of this is less-than and greater-than symbols, which get interpreted as HTML tags. This can by worked around by replacing them with “\gt” and “\lt” respectively.
Special symbols: Click the “Ω” button in the toolbar to open a palette to select a special symbol to insert. If you need a symbol not listed here, you can search for it at a site such as UnicodePlus and copy the character from there (note that this site displays the characters in bold and that formatting will be copied over, so if you don't want it, either choose to paste without formatting (ctrl+shift+v on Windows and Linux, not supported on MacOS) or remove the formatting afterwards).
Advanced formatting: If you're familiar with LaTeX markup, you can use it to directly set the text that will appear on the chart, or you can use a LaTeX equation editor to help. Malformed LaTeX markup will appear as red on the chart, or may result in the renderer failing entirely, resulting in the text appearing as a black bar on the chart.
Enter additional information in this section to make your data package more useful for others. Refer to the File Structure section for information about what files will be included in your FAIR data package. When you have finished configuring your preferences, click the “Download Data Package” button to download a FAIR data package containing your plot, data, and other information you provided.