Data quality metrics extracted from 6os3.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": "b0f92a870443ebe15355ca4e89b1cd59",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 157.69,
    "b": 157.69,
    "c": 56.30,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.750,1.700],
    "number_observations": 1209693,
    "number_observations_unique": 76243,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.232
      },
      {
        "type": "R(meas)",
        "value": 0.240
      },
      {
        "type": "R(pim)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 8.000
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 15.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.730,1.700],
      "number_observations": 64095,
      "number_observations_unique": 4005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.118
        },
        {
          "type": "R(meas)",
          "value": 1.154
        },
        {
          "type": "R(pim)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [55.750,9.000],
      "number_observations": 9464,
      "number_observations_unique": 568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "R(pim)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 19.100
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 16.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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