Data quality metrics extracted from 6r89.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": "37e64d234467a02afd6ffa3a65389cf7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 97.661,
    "b": 98.544,
    "c": 114.154,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.400,2.500],
    "number_observations_unique": 38874,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.272
      },
      {
        "type": "R(meas)",
        "value": 0.295
      },
      {
        "type": "R(pim)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 6.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.600,2.500],
      "number_observations_unique": 4339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.613
        },
        {
          "type": "R(meas)",
          "value": 1.745
        },
        {
          "type": "R(pim)",
          "value": 0.662
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.578
        }
      ]
    },
    {
      "resolution_limits": [49.400,9.010],
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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