Data quality metrics extracted from 4k78.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": "87efa058905a25a850e48bf584733082",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 61.821,
    "b": 61.821,
    "c": 97.446,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.133,1.80],
    "number_observations_unique": 10781,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 26.01
      },
      {
        "type": "Completeness",
        "value": 99.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.80],
      "number_observations_unique": 982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 61.7
        },
        {
          "type": "I/SigI",
          "value": 6.53
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.86],
      "number_observations_unique": 1747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 45.7
        },
        {
          "type": "I/SigI",
          "value": 10.30
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.99],
      "number_observations_unique": 1526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 26.8
        },
        {
          "type": "I/SigI",
          "value": 16.44
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.14],
      "number_observations_unique": 1535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 18.2
        },
        {
          "type": "I/SigI",
          "value": 21.94
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.35],
      "number_observations_unique": 1342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 14.6
        },
        {
          "type": "I/SigI",
          "value": 25.48
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.62],
      "number_observations_unique": 1218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.3
        },
        {
          "type": "I/SigI",
          "value": 33.82
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    }
  ]

}
  

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


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