Data quality metrics extracted from 2rj6.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": "cc1eadfbdf7c4dc024e8ed432292ae6c",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.52,
    "b": 149.06,
    "c": 79.61,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.410],
    "number_observations_unique": 58216,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 21.100
      },
      {
        "type": "Completeness",
        "value": 96.200
      },
      {
        "type": "Redundancy",
        "value": 4.180
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.46,1.41],
      "number_observations": 14902,
      "number_observations_unique": 5063,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 84.60
        },
        {
          "type": "Redundancy",
          "value": 2.94
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.46],
      "number_observations": 20369,
      "number_observations_unique": 5953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 3.42
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.52],
      "number_observations": 21260,
      "number_observations_unique": 6007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.54
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.59],
      "number_observations": 22296,
      "number_observations_unique": 5993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.67],
      "number_observations": 23775,
      "number_observations_unique": 6008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 3.95
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.78],
      "number_observations": 26521,
      "number_observations_unique": 5974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 13.3
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 4.42
        }
      ]
    },
    {
      "resolution_limits": [2.11,1.91],
      "number_observations": 28110,
      "number_observations_unique": 5955,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 20.3
        },
        {
          "type": "Completeness",
          "value": 98.50
        },
        {
          "type": "Redundancy",
          "value": 4.70
        }
      ]
    },
    {
      "resolution_limits": [2.41,2.11],
      "number_observations": 28869,
      "number_observations_unique": 5868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 25.7
        },
        {
          "type": "Completeness",
          "value": 96.60
        },
        {
          "type": "Redundancy",
          "value": 4.89
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.41],
      "number_observations": 29382,
      "number_observations_unique": 5752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 38.2
        },
        {
          "type": "Completeness",
          "value": 94.00
        },
        {
          "type": "Redundancy",
          "value": 5.05
        }
      ]
    },
    {
      "resolution_limits": [19.90,3.03],
      "number_observations": 29563,
      "number_observations_unique": 5643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 62.4
        },
        {
          "type": "Completeness",
          "value": 89.30
        },
        {
          "type": "Redundancy",
          "value": 5.06
        }
      ]
    }
  ]

}
  

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


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