Data quality metrics extracted from 6wcx.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": "2c19baabeed817e542a4586d1a0de2dc",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 86.957,
    "b": 86.957,
    "c": 454.712,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.190,2.890],
    "number_observations_unique": 23922,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.223
      },
      {
        "type": "R(meas)",
        "value": 0.235
      },
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 7.700
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 9.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.070,2.890],
      "number_observations": 26252,
      "number_observations_unique": 3641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.137
        },
        {
          "type": "R(meas)",
          "value": 1.213
        },
        {
          "type": "R(pim)",
          "value": 0.380
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 7.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.524
        }
      ]
    },
    {
      "resolution_limits": [49.190,8.680],
      "number_observations": 15977,
      "number_observations_unique": 1082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "R(pim)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 26.800
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 14.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 49.190 49.190
High resolution limit [Å] 2.890 8.680
R(merge) 0.2230 0.1070
R(meas) 0.2350 0.1120
R(pim) 0.0690 0.0290
CC(1/2) 0.988 0.995
Completeness [%] 99.4 99.5
Multiplicity 9.1 14.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
49.190-8.680 0.1070 0.1120 0.0290 0.995 99.5 14.8
3.070-2.890 1.1370 1.2130 0.3800 0.524 97.4 7.2