Data quality metrics extracted from 5pw8.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": "4d416b1fcdcf209df0d6d74cda8a947e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 56.267,
    "b": 56.408,
    "c": 101.464,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.010,2.080],
    "number_observations": 118339,
    "number_observations_unique": 19434,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.234
      },
      {
        "type": "R(meas)",
        "value": 0.258
      },
      {
        "type": "R(pim)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 11.600
      },
      {
        "type": "Completeness",
        "value": 97.300
      },
      {
        "type": "Redundancy",
        "value": 6.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.932
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.140,2.080],
      "number_observations": 7974,
      "number_observations_unique": 1364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.160
        },
        {
          "type": "R(meas)",
          "value": 3.474
        },
        {
          "type": "R(pim)",
          "value": 1.418
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.617
        }
      ]
    },
    {
      "resolution_limits": [29.010,9.310],
      "number_observations": 1551,
      "number_observations_unique": 264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 55.700
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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