Data quality metrics extracted from 7s29.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": "f598ef293f870158e6d67867cff584e1",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.247,
    "b": 78.247,
    "c": 36.948,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.42,1.596],
    "number_observations_unique": 15713,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 10.12
      },
      {
        "type": "Completeness",
        "value": 99.670
      },
      {
        "type": "Redundancy",
        "value": 9.880
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.653,1.596],
      "number_observations_unique": 29944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.312
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.653],
      "number_observations_unique": 27096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        }
      ]
    },
    {
      "resolution_limits": [1.798,1.720],
      "number_observations_unique": 24131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        }
      ]
    },
    {
      "resolution_limits": [1.893,1.798],
      "number_observations_unique": 21142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        }
      ]
    },
    {
      "resolution_limits": [2.011,1.893],
      "number_observations_unique": 18158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        }
      ]
    },
    {
      "resolution_limits": [2.166,2.011],
      "number_observations_unique": 15141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        }
      ]
    },
    {
      "resolution_limits": [2.384,2.166],
      "number_observations_unique": 12156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        }
      ]
    },
    {
      "resolution_limits": [2.729,2.384],
      "number_observations_unique": 9159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        }
      ]
    },
    {
      "resolution_limits": [3.437,2.729],
      "number_observations_unique": 6159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        }
      ]
    },
    {
      "resolution_limits": [22.45,3.437],
      "number_observations_unique": 3115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        }
      ]
    }
  ]

}
  

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


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