Data quality metrics extracted from 5snt.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": "fd738c2d383a0cfe3932a95159623887",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 137.492,
    "b": 65.307,
    "c": 84.430,
    "alpha": 90.0,
    "beta": 93.5,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.590,2.160],
    "number_observations": 132891,
    "number_observations_unique": 40265,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.268
      },
      {
        "type": "R(meas)",
        "value": 0.320
      },
      {
        "type": "R(pim)",
        "value": 0.173
      },
      {
        "type": "I/SigI",
        "value": 3.000
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.953
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.220,2.160],
      "number_observations": 9965,
      "number_observations_unique": 2958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.021
        },
        {
          "type": "R(meas)",
          "value": 1.212
        },
        {
          "type": "R(pim)",
          "value": 0.648
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.478
        }
      ]
    },
    {
      "resolution_limits": [68.590,9.660],
      "number_observations": 1656,
      "number_observations_unique": 489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "R(pim)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 7.200
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    }
  ]

}
  

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


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