Data quality metrics extracted from 3oq6.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": "309ee70d09cd39c13c3a8fc9d77b2c3b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.34,
    "b": 51.31,
    "c": 92.21,
    "alpha": 91.98,
    "beta": 102.95,
    "gamma": 110.11
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.0,1.200],
    "number_observations_unique": 214213,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 9.400
      },
      {
        "type": "Completeness",
        "value": 92.200
      },
      {
        "type": "Redundancy",
        "value": 3.570
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.240,1.200],
      "number_observations": 66775,
      "number_observations_unique": 19347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 83.600
        },
        {
          "type": "Redundancy",
          "value": 3.430
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.240],
      "number_observations": 72278,
      "number_observations_unique": 20310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 87.200
        },
        {
          "type": "Redundancy",
          "value": 3.550
        }
      ]
    },
    {
      "resolution_limits": [1.350,1.290],
      "number_observations": 72495,
      "number_observations_unique": 20561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 88.400
        },
        {
          "type": "Redundancy",
          "value": 3.520
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.350],
      "number_observations": 73038,
      "number_observations_unique": 20802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 89.600
        },
        {
          "type": "Redundancy",
          "value": 3.510
        }
      ]
    },
    {
      "resolution_limits": [1.510,1.420],
      "number_observations": 73901,
      "number_observations_unique": 21252,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 91.400
        },
        {
          "type": "Redundancy",
          "value": 3.470
        }
      ]
    },
    {
      "resolution_limits": [1.630,1.510],
      "number_observations": 74762,
      "number_observations_unique": 21543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 92.800
        },
        {
          "type": "Redundancy",
          "value": 3.460
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.630],
      "number_observations": 77971,
      "number_observations_unique": 22147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 9.5
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.790],
      "number_observations": 83709,
      "number_observations_unique": 22599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 11.8
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 3.680
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.050],
      "number_observations": 87014,
      "number_observations_unique": 22746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 16.4
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.780
        }
      ]
    },
    {
      "resolution_limits": [19.850,2.580],
      "number_observations": 89516,
      "number_observations_unique": 22906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 25.6
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.790
        }
      ]
    }
  ]

}
  

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


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