Data quality metrics extracted from 7s10.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": "28e985c29f37196ec4a6698f12969a9c",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 82.644,
    "b": 82.644,
    "c": 75.322,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37,1.4],
    "number_observations_unique": 51578,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "R(meas)",
        "value": 0.1141
      },
      {
        "type": "R(pim)",
        "value": 0.02982
      },
      {
        "type": "I/SigI",
        "value": 41.24
      },
      {
        "type": "Completeness",
        "value": 99.38
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.4],
      "number_observations_unique": 4861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5742
        },
        {
          "type": "R(meas)",
          "value": 0.6426
        },
        {
          "type": "R(pim)",
          "value": 0.2727
        },
        {
          "type": "I/SigI",
          "value": 1.48
        },
        {
          "type": "Completeness",
          "value": 95.16
        },
        {
          "type": "Redundancy",
          "value": 4.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.805
        }
      ]
    },
    {
      "resolution_limits": [1.4,1.4],
      "number_observations_unique": 508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "R(pim)",
          "value": 0.019
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 12.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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