Data quality metrics extracted from 8p1s.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": "457e63d6ea1d3e941acfd9cda3da6f63",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 89.058,
    "b": 142.765,
    "c": 167.202,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [108.56,1.90],
    "number_observations_unique": 167861,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.246
      },
      {
        "type": "R(meas)",
        "value": 0.262
      },
      {
        "type": "R(pim)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 17.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [108.56,10.41],
      "number_observations_unique": 167861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "Redundancy",
          "value": 15.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.90],
      "number_observations_unique": 8235,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.946
        },
        {
          "type": "R(meas)",
          "value": 10.726
        },
        {
          "type": "R(pim)",
          "value": 3.866
        },
        {
          "type": "Redundancy",
          "value": 14.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.215
        }
      ]
    }
  ]

}
  

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


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