Components of a RIMS scheme entry

[trappitsch]

This is an idea gathering list on what we must have for a scheme database. Most entries will probably be optional.

All of these fields should be saved in a json file for automatic reading and generation of the website.

Title

Element name and number (subsequent) for multiple scheme separation

Reference A reference with doi and title, etc., to the publication that provides the information for this scheme! Need to have the capability of submitting more than one scheme.

Notes

Any kind of experimental notes that the submitter wants to communicate to the user. The more detail the better.

One thing that could be important here as well is, how this scheme compares to others that are already in the database. For example, there are people who have multiple schemes for the same element and each of them has some up and downsides. For example, more non-resonant ionization vs. less laser need to be used to get this work. Notes are definitely crucial.

Scheme and drawing

• Scheme should be automatically drawn with a (reworked) version of the rimsschemedrawer package.
• A table should be generated with the individual steps / wavelengths and total wavenumber such that the user can copy and paste and doesn't have to type in the numbers individually. This can be generated from the same data as the plot.
• The user should have the possibility to dump the content of a rimsschemedrawer json file directly in here instead of typing in all of the data. That would allow as well for less issues with the automatic plotting, since default values are sometimes difficult.

Saturation curves

• Notes with respect to saturation curves
• Units for x axis, y axis should always be signal and is arbitrary
• Data as x (irradiance, ...) vs y (signal)

The data should be automatically fitted with a standard saturation curve and then we can print this result out as well! If the fit fails, maybe just leave it out?

Multiple saturation curves must be allowed, maybe subsections with a given title, e.g., the wavelength? And then we sort them by step or something similar?

The data should be shown as:

• Overview table with all steps that are provided, required saturations, (...?)
• A plot of the saturation curve data with a fit to the saturation curve.

We should also allow for uncertainties in the signal, x and y probably? This might be a bit difficult to do. Maybe some true/false questions for the user to answer?

Name/handle of the submitter

Who submitted the scheme? This could be important to find out who to get in touch with, etc. This should not necessarily be the github username of whoever submitted it, then it would also allow to have schemes submitted, e.g., by the management team of the database. Ultimately, there will always be people who don't want to submit schemes online but just send data by e-mail. They should still be the "submitter", even if they don't put it themselves on the website.

GitHub submitter

Handle of the person that submitted the actual scheme via PR or via direct addition.

[trappitsch]

Here's an example of the current json file that the rimsschemedrawer uses. The settings entry can probably be neglected, since we will standardize the plotting with useful default values. However, the settings should be there in case the user wants it!

{
    "scheme": {
        "gs_level": "0",
        "gs_term": "3F2",
        "ip_level": "55074",
        "ip_term": "",
        "step_level0": "170.15",
        "step_level1": "386.88",
        "step_level2": "21469.5",
        "step_level3": "45498.85",
        "step_level4": "56844.45",
        "step_lowlying0": true,
        "step_lowlying1": true,
        "step_lowlying2": false,
        "step_lowlying3": false,
        "step_lowlying4": false,
        "step_term0": "3F3",
        "step_term1": "3F4",
        "step_term2": "3G3",
        "step_term3": "3G4",
        "step_term4": "",
        "unit": "cm<sup>-1</sup>"
    },
    "settings": {
        "arrow_head_width": "0.6",
        "arrow_width": "0.2",
        "fig_height": "8",
        "fig_width": "5",
        "fs_axes": "12",
        "fs_axes_labels": "14",
        "fs_labels": "12",
        "fs_title": "14",
        "headspace": "2700",
        "ip_label_pos": "Top",
        "line_breaks": false,
        "plot_title": "",
        "prec_level": "0",
        "prec_wavelength": "3"
    }
}

[trappitsch]

The current proposal for a json format to serve RIMS schemes:

{
  "rims_scheme": {
    "scheme": { 
      ...
    },
    "settings": {
      ...
    }
  },
  "saturation_curves": {
    "First Transition, 319.215 nm": {
      "unit": "W * cm^-2",
      "data": {
        "x": [
          ...
        ],
        "y": [
          ...
        ],
        "y_err": [
          ...
        ]
      }
    }
  },
  "notes": "Overall notes for the scheme.",
  "references": [
    "doi number 1", "doi number 2", ...
  ]
}

This json file is very minimal. The red dots indicate where the data goes. The only key that is mandatory is the "rims_scheme".

Keys:

• rims_scheme: Dictionary with the entries directly from the RIMSSchemeDrawer json. Note that only the scheme entry is mandatory, the settings have all default values.
• saturation_curves: Each entry will produce one saturation curve with the key as the title. Each entry consists of the unit to be used on the x axis, and the a data entry which contains lists for x data, y data, and uncertainties in x and y (not mandatory!).
• notes: Overall notes for the scheme.
• references: DOI numbers with references. See #7 for details on how we could proceed with those.

To be discussed:

• An entry on who submitted the scheme?
• Additional notes on saturation curves - overall and individual? This could be useful to specify beam sizes, etc.

[trappitsch]

A filled json file can currently be found here

[trappitsch]

As of #22, the RIMSSchemeDrawer should now be able to take most schemes and display them nicely. The database now contains no more "settings" data for these schemes and should only contain those if the default settings do for some reason not work.

[trappitsch]

After considering https://github.com/RIMS-Code/rimsdb_scheme_submission/issues/3, we need to change the saturation curve entries:

{
  "saturation_curves": [
    {
      "title": "First Transition, 319.215 nm",
      "unit": "W * cm^-2",
      "data": {
        "x": [
          ...
        ],
        "y": [
          ...
        ],
        "y_err": [
          ...
        ]
      }
    }
  ]
}

[trappitsch]

Once this is fully figured out, we need a writeup in a discussion or wiki about the detailed format

[trappitsch]

This is now written up in the wiki, see here