Data quality metrics extracted from 5d8a.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": "d34a5e58881f120a37bc61afd3dadcfc",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 327.57,
    "b": 341.29,
    "c": 363.58,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97780],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.400],
    "number_observations": 498664,
    "number_observations_unique": 356924,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.265
      },
      {
        "type": "I/SigI",
        "value": 2.800
      },
      {
        "type": "Completeness",
        "value": 45.700
      },
      {
        "type": "Redundancy",
        "value": 1.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.490,2.400],
      "number_observations_unique": 30956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.937
        },
        {
          "type": "Completeness",
          "value": 39.800
        },
        {
          "type": "Redundancy",
          "value": 1.300
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.490],
      "number_observations_unique": 34128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.774
        },
        {
          "type": "Completeness",
          "value": 43.900
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.590],
      "number_observations_unique": 36596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 47.000
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.700],
      "number_observations_unique": 36338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "Completeness",
          "value": 46.600
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.850],
      "number_observations_unique": 36489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "Completeness",
          "value": 46.900
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.020],
      "number_observations_unique": 36282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 46.500
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.260],
      "number_observations_unique": 36178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "Completeness",
          "value": 46.300
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [4.100,3.580],
      "number_observations_unique": 36382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "Completeness",
          "value": 46.600
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [5.170,4.100],
      "number_observations_unique": 36732,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 46.800
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    },
    {
      "resolution_limits": [50.000,5.170],
      "number_observations_unique": 36843,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 46.300
        },
        {
          "type": "Redundancy",
          "value": 1.400
        }
      ]
    }
  ]

}
  

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


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