Data quality metrics extracted from 5k2h.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": "68ef5233e0cce63b2dcd22e297c67748",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 23.16,
    "b": 4.93,
    "c": 40.51,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.02510],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.11,1.050],
    "number_observations": 6795,
    "number_observations_unique": 1836,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.189
      },
      {
        "type": "R(meas)",
        "value": 0.218
      },
      {
        "type": "I/SigI",
        "value": 4.180
      },
      {
        "type": "Completeness",
        "value": 72.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.190,1.050],
      "number_observations": 2204,
      "number_observations_unique": 572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.438
        },
        {
          "type": "R(meas)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 2.260
        },
        {
          "type": "Completeness",
          "value": 75.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.813
        }
      ]
    },
    {
      "resolution_limits": [1.360,1.190],
      "number_observations": 1437,
      "number_observations_unique": 396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        },
        {
          "type": "R(meas)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 3.050
        },
        {
          "type": "Completeness",
          "value": 73.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.360],
      "number_observations": 1674,
      "number_observations_unique": 441,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "R(meas)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 4.520
        },
        {
          "type": "Completeness",
          "value": 74.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [20.11,1.710],
      "number_observations": 1480,
      "number_observations_unique": 427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 7.470
        },
        {
          "type": "Completeness",
          "value": 67.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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