Data quality metrics extracted from 7rnw.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": "b00d46bfe32d8407e42e780f341d7ae6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.360,
    "b": 201.726,
    "c": 60.543,
    "alpha": 90.00,
    "beta": 113.49,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.620,2.350],
    "number_observations": 307728,
    "number_observations_unique": 44063,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.254
      },
      {
        "type": "R(meas)",
        "value": 0.275
      },
      {
        "type": "R(pim)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 6.400
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 7.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.430,2.350],
      "number_observations": 29776,
      "number_observations_unique": 4328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.542
        },
        {
          "type": "R(meas)",
          "value": 1.667
        },
        {
          "type": "R(pim)",
          "value": 0.629
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.512
        }
      ]
    },
    {
      "resolution_limits": [33.620,9.100],
      "number_observations": 5331,
      "number_observations_unique": 778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 21.800
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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