Data quality metrics extracted from 7hnc.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": "ae63c3510184db519cfd7cbb3c2e55f6",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 95.397,
    "b": 95.397,
    "c": 45.946,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92134],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.390,1.150],
    "number_observations": 590390,
    "number_observations_unique": 62235,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "R(meas)",
        "value": 0.040
      },
      {
        "type": "R(pim)",
        "value": 0.011
      },
      {
        "type": "I/SigI",
        "value": 27.600
      },
      {
        "type": "Completeness",
        "value": 85.100
      },
      {
        "type": "Redundancy",
        "value": 9.500
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.170,1.150],
      "number_observations": 448,
      "number_observations_unique": 426,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.416
        },
        {
          "type": "R(meas)",
          "value": 0.588
        },
        {
          "type": "R(pim)",
          "value": 0.416
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 12.000
        },
        {
          "type": "Redundancy",
          "value": 1.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    },
    {
      "resolution_limits": [41.390,6.300],
      "number_observations": 6225,
      "number_observations_unique": 485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "R(pim)",
          "value": 0.008
        },
        {
          "type": "I/SigI",
          "value": 141.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 12.800
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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