Data quality metrics extracted from 3oq3.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": "72aa02ad00daf976a2cd3ff9dc8b005e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 48.84,
    "b": 75.90,
    "c": 182.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.680,2.100],
    "number_observations_unique": 66438,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 6.700
      },
      {
        "type": "Completeness",
        "value": 95.900
      },
      {
        "type": "Redundancy",
        "value": 3.290
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.180,2.100],
      "number_observations": 23035,
      "number_observations_unique": 7076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 92.500
        },
        {
          "type": "Redundancy",
          "value": 3.240
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.180],
      "number_observations": 22984,
      "number_observations_unique": 7071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 92.400
        },
        {
          "type": "Redundancy",
          "value": 3.180
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.260],
      "number_observations": 23551,
      "number_observations_unique": 7206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 3.260
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.370],
      "number_observations": 23650,
      "number_observations_unique": 7307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "Redundancy",
          "value": 3.230
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.490],
      "number_observations": 24095,
      "number_observations_unique": 7462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 3.220
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.650],
      "number_observations": 24646,
      "number_observations_unique": 7515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 3.260
        }
      ]
    },
    {
      "resolution_limits": [3.140,2.850],
      "number_observations": 25308,
      "number_observations_unique": 7543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.340
        }
      ]
    },
    {
      "resolution_limits": [3.590,3.140],
      "number_observations": 24699,
      "number_observations_unique": 7356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 9.4
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.320
        }
      ]
    },
    {
      "resolution_limits": [4.520,3.590],
      "number_observations": 23797,
      "number_observations_unique": 7309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 12.5
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 3.210
        }
      ]
    },
    {
      "resolution_limits": [45.680,4.520],
      "number_observations": 27831,
      "number_observations_unique": 7641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.620
        }
      ]
    }
  ]

}
  

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


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