Data quality metrics extracted from 4fdh.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": "250c48f7a6b54d8737aa110afa2f67db",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 129.751,
    "b": 199.086,
    "c": 150.018,
    "alpha": 90.00,
    "beta": 112.08,
    "gamma": 90.00
  },
  "wavelengths": [0.97931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.19,2.71],
    "number_observations_unique": 179030,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 10.5434
      },
      {
        "type": "Completeness",
        "value": 98.99
      },
      {
        "type": "Redundancy",
        "value": 3.60
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.71],
      "number_observations": 85684,
      "number_observations_unique": 26406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 95.22
        },
        {
          "type": "Redundancy",
          "value": 3.24
        }
      ]
    },
    {
      "resolution_limits": [3.03,2.86],
      "number_observations": 89042,
      "number_observations_unique": 26074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.42
        },
        {
          "type": "Redundancy",
          "value": 3.41
        }
      ]
    },
    {
      "resolution_limits": [3.24,3.03],
      "number_observations": 88338,
      "number_observations_unique": 24645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.76
        },
        {
          "type": "Redundancy",
          "value": 3.58
        }
      ]
    },
    {
      "resolution_limits": [3.50,3.24],
      "number_observations": 85649,
      "number_observations_unique": 22963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.50],
      "number_observations": 80084,
      "number_observations_unique": 21174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.85
        },
        {
          "type": "Redundancy",
          "value": 3.78
        }
      ]
    },
    {
      "resolution_limits": [4.29,3.83],
      "number_observations": 71744,
      "number_observations_unique": 19080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "Redundancy",
          "value": 3.76
        }
      ]
    },
    {
      "resolution_limits": [4.95,4.29],
      "number_observations": 62667,
      "number_observations_unique": 16856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.72
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [6.06,4.95],
      "number_observations": 52796,
      "number_observations_unique": 14265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.73
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [8.57,6.06],
      "number_observations": 40442,
      "number_observations_unique": 11051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.51
        },
        {
          "type": "Redundancy",
          "value": 3.66
        }
      ]
    },
    {
      "resolution_limits": [49.19,8.57],
      "number_observations": 21719,
      "number_observations_unique": 5991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 97.71
        },
        {
          "type": "Redundancy",
          "value": 3.63
        }
      ]
    }
  ]

}
  

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


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