Data quality metrics extracted from 7h1k.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": "1c7a54efd9e78bc4f36e61659d10cd85",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 42.877,
    "b": 42.877,
    "c": 216.741,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.25,1.50],
    "number_observations": 828399,
    "number_observations_unique": 33634,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "R(meas)",
        "value": 0.125
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 24.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "number_observations": 32446,
      "number_observations_unique": 1637,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.294
        },
        {
          "type": "R(meas)",
          "value": 7.485
        },
        {
          "type": "R(pim)",
          "value": 1.667
        },
        {
          "type": "I/SigI",
          "value": 0.1
        },
        {
          "type": "Redundancy",
          "value": 19.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.427
        }
      ]
    }
  ]

}
  

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


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