Data quality metrics extracted from 3f9a.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": "5b2f9d1b17a6fc73c0bdd101723cce52",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.431,
    "b": 58.263,
    "c": 90.622,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.41,1.69],
    "number_observations_unique": 31969,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "Completeness",
        "value": 96.900
      },
      {
        "type": "Redundancy",
        "value": 7.910
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.69],
      "number_observations_unique": 3033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 12.8
        },
        {
          "type": "Completeness",
          "value": 93.20
        },
        {
          "type": "Redundancy",
          "value": 7.48
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.75],
      "number_observations_unique": 3080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 15.7
        },
        {
          "type": "Completeness",
          "value": 94.40
        },
        {
          "type": "Redundancy",
          "value": 7.65
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.82],
      "number_observations_unique": 3071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 19.4
        },
        {
          "type": "Completeness",
          "value": 95.40
        },
        {
          "type": "Redundancy",
          "value": 7.77
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.90],
      "number_observations_unique": 3131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 24.1
        },
        {
          "type": "Completeness",
          "value": 95.80
        },
        {
          "type": "Redundancy",
          "value": 7.89
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.00],
      "number_observations_unique": 3156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 30.2
        },
        {
          "type": "Completeness",
          "value": 96.70
        },
        {
          "type": "Redundancy",
          "value": 8.04
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.13],
      "number_observations_unique": 3198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 36.5
        },
        {
          "type": "Completeness",
          "value": 97.30
        },
        {
          "type": "Redundancy",
          "value": 8.15
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.29],
      "number_observations_unique": 3225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 41.2
        },
        {
          "type": "Completeness",
          "value": 98.10
        },
        {
          "type": "Redundancy",
          "value": 8.17
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.52],
      "number_observations_unique": 3259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 48.9
        },
        {
          "type": "Completeness",
          "value": 98.60
        },
        {
          "type": "Redundancy",
          "value": 8.17
        }
      ]
    },
    {
      "resolution_limits": [3.64,2.89],
      "number_observations_unique": 3341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 64.1
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 8.13
        }
      ]
    },
    {
      "resolution_limits": [26.41,3.64],
      "number_observations_unique": 3475,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 89.9
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 7.64
        }
      ]
    }
  ]

}
  

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


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