Data quality metrics extracted from 2as0.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "dcf31c3bc7cae3d6d04618cbd41477ae",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 70.513,
    "b": 86.161,
    "c": 76.693,
    "alpha": 90.00,
    "beta": 114.16,
    "gamma": 90.00
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.80],
    "number_observations_unique": 142280,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 23
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.521
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Redundancy",
          "value": 4.4
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell
Low resolution limit [Å] 30.000 1.860
High resolution limit [Å] 1.800 1.800
R(merge) 0.0830 0.5210
Multiplicity 4.7 4.4


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) Multiplicity
1.860-1.800 0.5210 4.4