Data quality metrics extracted from 4v99.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": "650536bcf23ad3f8a339294e7f7ae063",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 411.74,
    "b": 403.90,
    "c": 412.46,
    "alpha": 90.00,
    "beta": 89.65,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.01,2.710],
    "number_observations_unique": 2279719,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.136
      },
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 63.0
      },
      {
        "type": "Redundancy",
        "value": 3.14
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.81,2.71],
      "number_observations": 39843,
      "number_observations_unique": 17607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 4.9
        },
        {
          "type": "Redundancy",
          "value": 2.26
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.81],
      "number_observations": 142632,
      "number_observations_unique": 58273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 16.1
        },
        {
          "type": "Redundancy",
          "value": 2.45
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.92],
      "number_observations": 262183,
      "number_observations_unique": 102162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 28.3
        },
        {
          "type": "Redundancy",
          "value": 2.56
        }
      ]
    },
    {
      "resolution_limits": [3.22,3.05],
      "number_observations": 411854,
      "number_observations_unique": 152962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 42.3
        },
        {
          "type": "Redundancy",
          "value": 2.67
        }
      ]
    },
    {
      "resolution_limits": [3.42,3.22],
      "number_observations": 610790,
      "number_observations_unique": 214615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 59.4
        },
        {
          "type": "Redundancy",
          "value": 2.81
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.42],
      "number_observations": 893552,
      "number_observations_unique": 292111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 80.8
        },
        {
          "type": "Redundancy",
          "value": 3.02
        }
      ]
    },
    {
      "resolution_limits": [4.05,3.68],
      "number_observations": 1213063,
      "number_observations_unique": 358392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 3.31
        }
      ]
    },
    {
      "resolution_limits": [4.64,4.05],
      "number_observations": 1245511,
      "number_observations_unique": 360377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 6.5
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 3.36
        }
      ]
    },
    {
      "resolution_limits": [5.84,4.64],
      "number_observations": 1252906,
      "number_observations_unique": 360801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 8.5
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 3.37
        }
      ]
    },
    {
      "resolution_limits": [50.01,5.84],
      "number_observations": 1234096,
      "number_observations_unique": 362419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 13.3
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 3.34
        }
      ]
    }
  ]

}
  

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


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