Data quality metrics extracted from 8qw1.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": "8e5839fc7f6e1392adeecd081b8153ac",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 106.46,
    "b": 116.31,
    "c": 84.07,
    "alpha": 90.000,
    "beta": 93.054,
    "gamma": 90.000
  },
  "wavelengths": [0.87310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.011,2.10],
    "number_observations_unique": 57087,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.184
      },
      {
        "type": "R(meas)",
        "value": 0.199
      },
      {
        "type": "I/SigI",
        "value": 10.01
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.10],
      "number_observations_unique": 3195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.509
        },
        {
          "type": "R(meas)",
          "value": 1.659
        },
        {
          "type": "I/SigI",
          "value": 1.72
        },
        {
          "type": "Completeness",
          "value": 73.1
        },
        {
          "type": "Redundancy",
          "value": 5.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 42.011 2.150
High resolution limit [Å] 2.100 2.100
R(merge) 0.1840 1.5090
R(meas) 0.1990 1.6590
CC(1/2) 0.995 0.466
Completeness [%] 95.8 73.1
Multiplicity 6.6 5.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
2.150-2.100 1.5090 1.6590 0.466 73.1 5.9