Data quality metrics extracted from 5rwh.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": "ed654080dc086f38635bcd95db010153",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.66,
    "b": 79.51,
    "c": 89.52,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91589],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.210,1.560],
    "number_observations": 421632,
    "number_observations_unique": 64365,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.126
      },
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 9.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.600,1.560],
      "number_observations": 30261,
      "number_observations_unique": 4661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.784
        },
        {
          "type": "R(meas)",
          "value": 1.940
        },
        {
          "type": "R(pim)",
          "value": 0.756
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.419
        }
      ]
    },
    {
      "resolution_limits": [49.210,6.980],
      "number_observations": 5322,
      "number_observations_unique": 835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 40.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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