Data quality metrics extracted from 7u6h.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": "9b53152d8e03c8d077c007204842611f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.050,
    "b": 73.226,
    "c": 73.176,
    "alpha": 66.24,
    "beta": 75.80,
    "gamma": 85.28
  },
  "wavelengths": [1.11000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.840,2.000],
    "number_observations": 620910,
    "number_observations_unique": 87446,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.134
      },
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 8.800
      },
      {
        "type": "Completeness",
        "value": 97.500
      },
      {
        "type": "Redundancy",
        "value": 7.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.040,2.000],
      "number_observations": 28725,
      "number_observations_unique": 4414,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.276
        },
        {
          "type": "R(meas)",
          "value": 2.472
        },
        {
          "type": "R(pim)",
          "value": 0.956
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.507
        }
      ]
    },
    {
      "resolution_limits": [69.840,10.770],
      "number_observations": 4481,
      "number_observations_unique": 578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 31.100
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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