Data quality metrics extracted from 6oxm.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": "31384d6c5845a7adfefa6db6cf6756e8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.050,
    "b": 121.372,
    "c": 76.545,
    "alpha": 90.00,
    "beta": 102.01,
    "gamma": 90.00
  },
  "wavelengths": [0.95366],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.460,2.25],
    "number_observations_unique": 44544,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.145
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 8.100
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.926
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.380,2.300],
      "number_observations": 15896,
      "number_observations_unique": 4479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.334
        },
        {
          "type": "R(meas)",
          "value": 1.583
        },
        {
          "type": "R(pim)",
          "value": 0.843
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.335
        }
      ]
    },
    {
      "resolution_limits": [49.460,8.590],
      "number_observations": 3180,
      "number_observations_unique": 890,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 20.300
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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