Data quality metrics extracted from 5smf.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": "485f55ca5b573c9e7af3146e176e3824",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 68.145,
    "b": 67.846,
    "c": 138.596,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91788],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.340,2.010],
    "number_observations": 295425,
    "number_observations_unique": 43495,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.251
      },
      {
        "type": "R(meas)",
        "value": 0.272
      },
      {
        "type": "R(pim)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 6.100
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.969
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.060,2.010],
      "number_observations": 21935,
      "number_observations_unique": 3147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.108
        },
        {
          "type": "R(meas)",
          "value": 4.438
        },
        {
          "type": "R(pim)",
          "value": 1.667
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.430
        }
      ]
    },
    {
      "resolution_limits": [69.340,8.990],
      "number_observations": 3227,
      "number_observations_unique": 583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 45.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.842
        }
      ]
    }
  ]

}
  

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


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