Data quality metrics extracted from 4rlt.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": "a8e1fd847f79be393161c1c332edff24",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 82.258,
    "b": 82.258,
    "c": 140.161,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.049],
    "number_observations_unique": 31026,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 9.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.120,2.049],
      "number_observations_unique": 3043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.440
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.120],
      "number_observations_unique": 3020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.210],
      "number_observations_unique": 3053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.310],
      "number_observations_unique": 3076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.430],
      "number_observations_unique": 3053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [2.780,2.580],
      "number_observations_unique": 3068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.780],
      "number_observations_unique": 3108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.6
        }
      ]
    },
    {
      "resolution_limits": [3.510,3.060],
      "number_observations_unique": 3105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.5
        }
      ]
    },
    {
      "resolution_limits": [4.420,3.510],
      "number_observations_unique": 3162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 9.3
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.420],
      "number_observations_unique": 3338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 8.7
        }
      ]
    }
  ]

}
  

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


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