Data quality metrics extracted from 7zsf.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": "b4daf027697a206bdd5be946fb8e8ed1",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 82.569,
    "b": 82.569,
    "c": 87.365,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97960,4.42801,4.27532],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.29,1.36],
    "number_observations_unique": 74252,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "R(meas)",
        "value": 0.079
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 17.1
      },
      {
        "type": "Completeness",
        "value": 99.97
      },
      {
        "type": "Redundancy",
        "value": 19.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.4,1.36],
      "number_observations_unique": 5438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.543
        },
        {
          "type": "R(meas)",
          "value": 3.480
        },
        {
          "type": "R(pim)",
          "value": 0.779
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 19.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.519
        }
      ]
    },
    {
      "resolution_limits": [2.95,2.8],
      "number_observations_unique": 1188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.304
        },
        {
          "type": "R(meas)",
          "value": 0.316
        },
        {
          "type": "R(pim)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 94.5
        },
        {
          "type": "Redundancy",
          "value": 12.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.89],
      "number_observations_unique": 14952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        },
        {
          "type": "R(meas)",
          "value": 0.429
        },
        {
          "type": "R(pim)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 93.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    }
  ]

}
  

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


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