Data quality metrics extracted from 4h54.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": "dfac0e5819dc30726b6472be4f26b594",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 102.593,
    "b": 102.593,
    "c": 129.156,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89,3.9],
    "number_observations_unique": 7076,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.11,3.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.77
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "Completeness",
          "value": 99.87
        },
        {
          "type": "Redundancy",
          "value": 7.93
        }
      ]
    },
    {
      "resolution_limits": [4.36,4.11],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57
        },
        {
          "type": "I/SigI",
          "value": 1.31
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 12.27
        }
      ]
    },
    {
      "resolution_limits": [4.66,4.36],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.40
        },
        {
          "type": "I/SigI",
          "value": 1.81
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 14.30
        }
      ]
    },
    {
      "resolution_limits": [4.66,4.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 2.36
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 14.31
        }
      ]
    },
    {
      "resolution_limits": [5.52,4.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "I/SigI",
          "value": 2.88
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 14.36
        }
      ]
    },
    {
      "resolution_limits": [6.17,5.52],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "I/SigI",
          "value": 2.93
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 14.19
        }
      ]
    },
    {
      "resolution_limits": [7.12,6.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "I/SigI",
          "value": 4.13
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 14.28
        }
      ]
    },
    {
      "resolution_limits": [8.72,7.12],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 9.54
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 14.21
        }
      ]
    },
    {
      "resolution_limits": [12.33,8.72],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 15.53
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 13.98
        }
      ]
    },
    {
      "resolution_limits": [89.05,12.33],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 15.45
        },
        {
          "type": "Completeness",
          "value": 99.06
        },
        {
          "type": "Redundancy",
          "value": 13.38
        }
      ]
    }
  ]

}
  

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


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