Data quality metrics extracted from 7rk1.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": "3f2743ff9e54d348434363bd5408bb23",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.829,
    "b": 80.429,
    "c": 117.208,
    "alpha": 90.00,
    "beta": 90.67,
    "gamma": 90.00
  },
  "wavelengths": [1.03318],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.430,2.050],
    "number_observations": 337857,
    "number_observations_unique": 55739,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.184
      },
      {
        "type": "R(meas)",
        "value": 0.202
      },
      {
        "type": "R(pim)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 7.200
      },
      {
        "type": "Completeness",
        "value": 97.900
      },
      {
        "type": "Redundancy",
        "value": 6.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.110,2.050],
      "number_observations": 21884,
      "number_observations_unique": 4159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.268
        },
        {
          "type": "R(meas)",
          "value": 1.415
        },
        {
          "type": "R(pim)",
          "value": 0.614
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 94.800
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.602
        }
      ]
    },
    {
      "resolution_limits": [80.430,8.940],
      "number_observations": 4601,
      "number_observations_unique": 734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 17.100
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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