Improving user interface

[danieleongari]

I'm reporting here suggestion of my user experience when reporting two H2 isotherms for a new adsorbent (NU-1500-Al recently published, 10.1126/science.aaz8881)

Digitized using https://apps.automeris.io/wpd/ by taking a screenshot and copy&paste the image.

• [ ] add an info box to warn that for adsorbents/adsorbates any synonim is fine (you can select both NITROGEN and N2 and they will be archived as the same, right?)
• [ ] Isotherm Type: give the hint of running a text search Absolute/Excess to see if it is specified. If it is not, we can think about having an "UNKNOWN" option. Then we can use algorithms to guess it (e.g., if the uptake decreases it is excess) In the digitizer, we now have a "not specified" option.
• [ ] Measurement Type: explain what the different options are, and set as first option as "Experiment".
• [x] Isotherm Data: if it is a single component isotherm (leke in the 99% of the cases), you want to simply have two columns as given by WebPlotDigitizer. Adding 1, manually for all the lines is annoying.
• [ ] Composition type: depending on the "Adsorption Units" selected, select the options accordingly. In my case of wt% I would like to see just "mass fraction" and "mass ratio" with also the option " unknown". For the record, in my case (NU-1500-Al) it is specified in the caption:

  In this work, the capacity (in wt %) of H2 is calculated according to wt % = (mass of H2)/(mass of H2 + mass of MOF) × 100%

• [x] fix the superimposition of title/legend
• [x] add a recap page together with the plot, for a second check
• [x] remove the "Adsorption V. Composition" tab in the doublecheck if it is a single component isotherm: it is just confusing for a "single time user"
• [ ] in the plot axis replace Qads with Uptake: it confused me for a second because Qads is also used for the "heat of adsorption" (now using "Adsorption")
• [x] I just realized after submission that I wrote N2 instead of H2. Give the user a way to fix this kind of problems.

I liked:

• that after submission the fields remain populated: it is very easy to add more isotherms by changing only the temperature and data. If you need to clear the form you can simply use the

[dwsideriusNIST]

Additional ideas:

• [x] Digitization tool specifically for single-component adsorption; simplifies many fields and the x-y data can just be two columns
• [ ] Make the Figure/Table entry box strict: Radio button for Figure OR Table, then entry box for figure/table number If radio_button = Table then set "tabular" boolean to True. (Note: JSON has no intrinsic booleans, so we use False = 0, True = 1)

[ltalirz]

• Note: JSON has no intrinsic booleans, so we use False = 0, True = 1)

The JSON standard does have booleans. In any case, it's not a problem to use 0/1.