Data quality metrics extracted from 5sa5.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": "8585ec1c27c4d202c704a2621b059dae",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 150.150,
    "b": 150.150,
    "c": 111.851,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91256],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [130.030,2.090],
    "number_observations": 824752,
    "number_observations_unique": 84683,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.257
      },
      {
        "type": "R(meas)",
        "value": 0.271
      },
      {
        "type": "R(pim)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 9.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.130,2.090],
      "number_observations": 45448,
      "number_observations_unique": 4493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.151
        },
        {
          "type": "R(meas)",
          "value": 3.319
        },
        {
          "type": "R(pim)",
          "value": 1.036
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 10.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.449
        }
      ]
    },
    {
      "resolution_limits": [130.030,11.060],
      "number_observations": 6441,
      "number_observations_unique": 607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "R(pim)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 21.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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