Data quality metrics extracted from 4jxt.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": "a4e412dc20212e5d9dbface701cbd807",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 93.264,
    "b": 93.264,
    "c": 36.027,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,1.90],
    "number_observations_unique": 12196,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 14.7596
      },
      {
        "type": "Completeness",
        "value": 98.26
      },
      {
        "type": "Redundancy",
        "value": 7.30
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.90],
      "number_observations": 12320,
      "number_observations_unique": 1711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.93
        },
        {
          "type": "Completeness",
          "value": 96.34
        },
        {
          "type": "Redundancy",
          "value": 7.20
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.00],
      "number_observations": 12143,
      "number_observations_unique": 1664,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.55
        },
        {
          "type": "Completeness",
          "value": 97.29
        },
        {
          "type": "Redundancy",
          "value": 7.30
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.12],
      "number_observations": 11487,
      "number_observations_unique": 1568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.36
        },
        {
          "type": "Completeness",
          "value": 97.86
        },
        {
          "type": "Redundancy",
          "value": 7.33
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.27],
      "number_observations": 10707,
      "number_observations_unique": 1458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "Completeness",
          "value": 98.39
        },
        {
          "type": "Redundancy",
          "value": 7.34
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.45],
      "number_observations": 9969,
      "number_observations_unique": 1353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "Completeness",
          "value": 98.77
        },
        {
          "type": "Redundancy",
          "value": 7.37
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.69],
      "number_observations": 9114,
      "number_observations_unique": 1242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 98.58
        },
        {
          "type": "Redundancy",
          "value": 7.34
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.00],
      "number_observations": 8110,
      "number_observations_unique": 1101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 99.72
        },
        {
          "type": "Redundancy",
          "value": 7.37
        }
      ]
    },
    {
      "resolution_limits": [4.25,3.47],
      "number_observations": 6894,
      "number_observations_unique": 942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.64
        },
        {
          "type": "Redundancy",
          "value": 7.32
        }
      ]
    },
    {
      "resolution_limits": [6.01,4.25],
      "number_observations": 5337,
      "number_observations_unique": 737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 7.24
        }
      ]
    },
    {
      "resolution_limits": [30.00,6.01],
      "number_observations": 2939,
      "number_observations_unique": 420,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 99.11
        },
        {
          "type": "Redundancy",
          "value": 7.00
        }
      ]
    }
  ]

}
  

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


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