Data quality metrics extracted from 3q8b.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": "1500f6601110a85f1ea00396555143be",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 71.376,
    "b": 93.799,
    "c": 115.729,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,2.00],
    "number_observations_unique": 52880,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 13.0138
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 6.85
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.00],
      "number_observations": 50788,
      "number_observations_unique": 7539,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69
        },
        {
          "type": "Completeness",
          "value": 98.52
        },
        {
          "type": "Redundancy",
          "value": 6.74
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.11],
      "number_observations": 51158,
      "number_observations_unique": 7187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 98.95
        },
        {
          "type": "Redundancy",
          "value": 7.12
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.24],
      "number_observations": 47970,
      "number_observations_unique": 6765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "Completeness",
          "value": 99.28
        },
        {
          "type": "Redundancy",
          "value": 7.09
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 43974,
      "number_observations_unique": 6348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "Completeness",
          "value": 99.54
        },
        {
          "type": "Redundancy",
          "value": 6.93
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.58],
      "number_observations": 38461,
      "number_observations_unique": 5868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "Completeness",
          "value": 99.71
        },
        {
          "type": "Redundancy",
          "value": 6.55
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.83],
      "number_observations": 35934,
      "number_observations_unique": 5347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "Redundancy",
          "value": 6.72
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.16],
      "number_observations": 33511,
      "number_observations_unique": 4721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 7.10
        }
      ]
    },
    {
      "resolution_limits": [4.47,3.65],
      "number_observations": 27791,
      "number_observations_unique": 4067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 6.83
        }
      ]
    },
    {
      "resolution_limits": [6.32,4.47],
      "number_observations": 20200,
      "number_observations_unique": 3183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.35
        }
      ]
    },
    {
      "resolution_limits": [40.00,6.32],
      "number_observations": 12402,
      "number_observations_unique": 1855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 6.69
        }
      ]
    }
  ]

}
  

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


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