Data quality metrics extracted from 4p5q.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": "463173b2fd44ef67048f3b398c483dc8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.374,
    "b": 38.196,
    "c": 75.771,
    "alpha": 90.00,
    "beta": 101.61,
    "gamma": 90.00
  },
  "wavelengths": [0.99989],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.480,1.350],
    "number_observations": 261570,
    "number_observations_unique": 64017,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(pim)",
        "value": 0.028
      },
      {
        "type": "I/SigI",
        "value": 15.900
      },
      {
        "type": "Completeness",
        "value": 97.100
      },
      {
        "type": "Redundancy",
        "value": 4.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.370,1.350],
      "number_observations": 12017,
      "number_observations_unique": 2998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.705
        },
        {
          "type": "R(pim)",
          "value": 0.398
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 93.200
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [47.480,7.390],
      "number_observations": 590,
      "number_observations_unique": 205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 34.100
        },
        {
          "type": "Completeness",
          "value": 45.300
        },
        {
          "type": "Redundancy",
          "value": 2.900
        }
      ]
    }
  ]

}
  

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


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