Data quality metrics extracted from 4jij.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": "cddee05f7ef7c6cea17d3e40b019a38e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.20,
    "b": 57.40,
    "c": 172.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.698],
    "number_observations_unique": 38427,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.174
      },
      {
        "type": "I/SigI",
        "value": 9.91
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 8.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8,1.7],
      "number_observations_unique": 6144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.052
        },
        {
          "type": "I/SigI",
          "value": 2.06
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 8.92
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.8],
      "number_observations_unique": 5748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.681
        },
        {
          "type": "I/SigI",
          "value": 3.39
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.14
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.92],
      "number_observations_unique": 5362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 5.30
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.09
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.08],
      "number_observations_unique": 4991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 7.89
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.38
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.28],
      "number_observations_unique": 4489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 9.75
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.97
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.54],
      "number_observations_unique": 4019,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 13.22
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.25
        }
      ]
    },
    {
      "resolution_limits": [3.59,2.94],
      "number_observations_unique": 3440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 19.44
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.67
        }
      ]
    },
    {
      "resolution_limits": [5.07,3.59],
      "number_observations_unique": 2712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 27.42
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    },
    {
      "resolution_limits": [50.0,5.07],
      "number_observations_unique": 1621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 26.60
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 7.83
        }
      ]
    }
  ]

}
  

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


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