Data quality metrics extracted from 6hsd.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": "d22085694afc68ffe104409365bf50d2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.29,
    "b": 94.51,
    "c": 99.94,
    "alpha": 90.00,
    "beta": 93.24,
    "gamma": 90.00
  },
  "wavelengths": [0.94500,1.73978],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.260,1.600],
    "number_observations": 332569,
    "number_observations_unique": 87187,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.040
      },
      {
        "type": "R(meas)",
        "value": 0.047
      },
      {
        "type": "R(pim)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 19.500
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 3.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.600],
      "number_observations_unique": 8413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.436
        },
        {
          "type": "R(meas)",
          "value": 1.662
        },
        {
          "type": "R(pim)",
          "value": 0.828
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 3.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.375
        }
      ]
    },
    {
      "resolution_limits": [47.260,6.200],
      "number_observations_unique": 1537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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