Data quality metrics extracted from 7urp.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": "bd0e4f04faf66740139458081b8cba7f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 120.57,
    "b": 30.05,
    "c": 49.94,
    "alpha": 90.00,
    "beta": 94.53,
    "gamma": 90.00
  },
  "wavelengths": [0.72900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.1,1.030],
    "number_observations_unique": 87298,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 12
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 13.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.060,1.030],
      "number_observations_unique": 6377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 8.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.42
        }
      ]
    },
    {
      "resolution_limits": [30.050,4.610],
      "number_observations_unique": 1028,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.400
        },
        {
          "type": "Redundancy",
          "value": 12.700
        }
      ]
    }
  ]

}
  

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


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