Data quality metrics extracted from 4k76.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": "5ef00c8cc1da8b662948524964f1611e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 32.762,
    "b": 50.169,
    "c": 55.183,
    "alpha": 68.81,
    "beta": 75.79,
    "gamma": 87.93
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.262,1.75],
    "number_observations_unique": 30591,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 16.70
      },
      {
        "type": "Completeness",
        "value": 95.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.75],
      "number_observations_unique": 2466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 32.4
        },
        {
          "type": "I/SigI",
          "value": 2.95
        },
        {
          "type": "Completeness",
          "value": 94.6
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.80],
      "number_observations_unique": 5267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 22.1
        },
        {
          "type": "I/SigI",
          "value": 4.28
        },
        {
          "type": "Completeness",
          "value": 94.3
        }
      ]
    },
    {
      "resolution_limits": [2.27,1.93],
      "number_observations_unique": 8975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.7
        },
        {
          "type": "I/SigI",
          "value": 9.28
        },
        {
          "type": "Completeness",
          "value": 95.7
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.28],
      "number_observations_unique": 3821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.9
        },
        {
          "type": "I/SigI",
          "value": 14.52
        },
        {
          "type": "Completeness",
          "value": 95.3
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.54],
      "number_observations_unique": 3520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.9
        },
        {
          "type": "I/SigI",
          "value": 20.95
        },
        {
          "type": "Completeness",
          "value": 96.8
        }
      ]
    },
    {
      "resolution_limits": [3.55,2.93],
      "number_observations_unique": 2896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.4
        },
        {
          "type": "I/SigI",
          "value": 32.99
        },
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    }
  ]

}
  

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


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