Data quality metrics extracted from 6b2w.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": "7821a710651195a52be959fe63673bda",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.528,
    "b": 80.884,
    "c": 85.626,
    "alpha": 90.00,
    "beta": 95.26,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [85.270,2.500],
    "number_observations": 93595,
    "number_observations_unique": 25689,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.198
      },
      {
        "type": "R(pim)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 11.100
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.600,2.500],
      "number_observations_unique": 2870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.870
        },
        {
          "type": "R(meas)",
          "value": 1.053
        },
        {
          "type": "R(pim)",
          "value": 0.587
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    },
    {
      "resolution_limits": [85.270,9.010],
      "number_observations_unique": 579,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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