Data quality metrics extracted from 7s2b.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": "fb219338a7a15d8ab250648d4d9b2e7e",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.201,
    "b": 78.201,
    "c": 36.941,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.14,1.599],
    "number_observations_unique": 29864,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 19.480
      },
      {
        "type": "Completeness",
        "value": 99.860
      },
      {
        "type": "Redundancy",
        "value": 7.140
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.656,1.599],
      "number_observations_unique": 29864,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        }
      ]
    },
    {
      "resolution_limits": [1.723,1.656],
      "number_observations_unique": 26932,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        }
      ]
    },
    {
      "resolution_limits": [1.801,1.723],
      "number_observations_unique": 23968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.244
        }
      ]
    },
    {
      "resolution_limits": [1.896,1.801],
      "number_observations_unique": 21010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        }
      ]
    },
    {
      "resolution_limits": [2.015,1.896],
      "number_observations_unique": 18058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.015],
      "number_observations_unique": 15061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        }
      ]
    },
    {
      "resolution_limits": [2.388,2.170],
      "number_observations_unique": 12080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        }
      ]
    },
    {
      "resolution_limits": [2.733,2.388],
      "number_observations_unique": 9110,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        }
      ]
    },
    {
      "resolution_limits": [3.442,2.733],
      "number_observations_unique": 6131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        }
      ]
    },
    {
      "resolution_limits": [22.14,3.442],
      "number_observations_unique": 3100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        }
      ]
    }
  ]

}
  

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


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