Data quality metrics extracted from 7s2a.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": "537816c60d9d696891ce97476030a7a6",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.235,
    "b": 78.235,
    "c": 36.956,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.15,1.597],
    "number_observations_unique": 29906,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.188
      },
      {
        "type": "I/SigI",
        "value": 8
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 6.690
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.654,1.597],
      "number_observations_unique": 29906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.654],
      "number_observations_unique": 27048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        }
      ]
    },
    {
      "resolution_limits": [1.798,1.720],
      "number_observations_unique": 24081,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        }
      ]
    },
    {
      "resolution_limits": [1.893,1.798],
      "number_observations_unique": 21099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        }
      ]
    },
    {
      "resolution_limits": [2.011,1.893],
      "number_observations_unique": 18126,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        }
      ]
    },
    {
      "resolution_limits": [2.167,2.011],
      "number_observations_unique": 15115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.173
        }
      ]
    },
    {
      "resolution_limits": [2.384,2.167],
      "number_observations_unique": 12137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.176
        }
      ]
    },
    {
      "resolution_limits": [2.729,2.384],
      "number_observations_unique": 9151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        }
      ]
    },
    {
      "resolution_limits": [3.436,2.729],
      "number_observations_unique": 6154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        }
      ]
    },
    {
      "resolution_limits": [22.15,3.436],
      "number_observations_unique": 3113,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        }
      ]
    }
  ]

}
  

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


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