Data quality metrics extracted from 7s2d.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": "b05ba30050bd53143a4263bdb382f553",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.363,
    "b": 78.363,
    "c": 36.957,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.79,1.599],
    "number_observations_unique": 29998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "I/SigI",
        "value": 9.44
      },
      {
        "type": "Completeness",
        "value": 99.690
      },
      {
        "type": "Redundancy",
        "value": 6.650
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.656,1.599],
      "number_observations_unique": 29998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        }
      ]
    },
    {
      "resolution_limits": [1.723,1.656],
      "number_observations_unique": 27117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        }
      ]
    },
    {
      "resolution_limits": [1.801,1.723],
      "number_observations_unique": 24162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        }
      ]
    },
    {
      "resolution_limits": [1.896,1.801],
      "number_observations_unique": 21159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        }
      ]
    },
    {
      "resolution_limits": [2.015,1.896],
      "number_observations_unique": 18177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.015],
      "number_observations_unique": 15154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        }
      ]
    },
    {
      "resolution_limits": [2.388,2.170],
      "number_observations_unique": 12178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        }
      ]
    },
    {
      "resolution_limits": [2.734,2.388],
      "number_observations_unique": 9180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        }
      ]
    },
    {
      "resolution_limits": [3.443,2.734],
      "number_observations_unique": 6161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        }
      ]
    },
    {
      "resolution_limits": [24.79,3.443],
      "number_observations_unique": 3116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        }
      ]
    }
  ]

}
  

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


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