Data quality metrics extracted from 4r4j.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": "a84f94af1ad6d8358f5b39302feb9cf7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.925,
    "b": 98.842,
    "c": 64.329,
    "alpha": 90.00,
    "beta": 100.91,
    "gamma": 90.00
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.5],
    "number_observations_unique": 106917,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 26.1
      },
      {
        "type": "Completeness",
        "value": 82.5
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.56,1.5],
      "number_observations_unique": 10830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "Completeness",
          "value": 83.7
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    },
    {
      "resolution_limits": [50,3.12],
      "number_observations_unique": 11139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "Completeness",
          "value": 84.8
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.48],
      "number_observations_unique": 11610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "Completeness",
          "value": 89.3
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.17],
      "number_observations_unique": 11893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "Completeness",
          "value": 91.4
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    },
    {
      "resolution_limits": [2.17,1.97],
      "number_observations_unique": 11921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 92.2
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations_unique": 12208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "Completeness",
          "value": 94.3
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.72],
      "number_observations_unique": 12432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "Completeness",
          "value": 96
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.63],
      "number_observations_unique": 12494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 2.4
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.56],
      "number_observations_unique": 12390,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    }
  ]

}
  

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


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