Exportation string is not always ordered

[lpatiny]

[jobo322]

Currently the ACS has an options ascending, when it is true the ranges is sorted. So, to fix it when ascending is undefined or false, the ranges should be sorted in descending.

[lpatiny]

@hamed-musallam Please add a checkbox to select the 'Ascending order' and forward it to the library.

[lpatiny]

@hamed-musallam Please also add formatting options

  ascending?: boolean;
  format?: string;
  /**
   * default value depends of nucleus
   * @default '0.00'
   */
  deltaFormat?: string;
  /**
   * Number of decimals to round the scalar coupling value
   * @default '0.0'
   */
  couplingFormat?: string;

[hamed-musallam]

@lpatiny
We format the delta and coupling values based on the range settings for each nucleus.

• Exportation preferences in the workspace #3649

[lpatiny]

Ok perfect. So there is only ascending and format (the string) to consider.
Please also add an empty string as format with description 'delta'.
We currently have an issue with 13C because in the publication we only want a list of comma separated chemical shifts (most of the time we don't have coupled 13C spectra). I think an empty string should fix this issue.

[hamed-musallam]

What do you think about adding input fields for delta and coupling in the export modal? The default values would be from the current range settings, allowing for adjustments for the exportation.

delta format

couplings format

[lpatiny]

Ok for me.