Data quality metrics extracted from 7s2c.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": "49a457aaf5ae2861a6d1c1710164d3a5",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.447,
    "b": 78.447,
    "c": 36.951,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.19,1.597],
    "number_observations_unique": 30056,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.189
      },
      {
        "type": "I/SigI",
        "value": 17.690
      },
      {
        "type": "Completeness",
        "value": 99.920
      },
      {
        "type": "Redundancy",
        "value": 9.850
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.654,1.597],
      "number_observations_unique": 30056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        }
      ]
    },
    {
      "resolution_limits": [1.721,1.654],
      "number_observations_unique": 27106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.360
        }
      ]
    },
    {
      "resolution_limits": [1.799,1.721],
      "number_observations_unique": 24152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        }
      ]
    },
    {
      "resolution_limits": [1.894,1.799],
      "number_observations_unique": 21149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        }
      ]
    },
    {
      "resolution_limits": [2.012,1.894],
      "number_observations_unique": 18187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        }
      ]
    },
    {
      "resolution_limits": [2.168,2.012],
      "number_observations_unique": 15159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        }
      ]
    },
    {
      "resolution_limits": [2.385,2.168],
      "number_observations_unique": 12173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.188
        }
      ]
    },
    {
      "resolution_limits": [2.730,2.385],
      "number_observations_unique": 9175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        }
      ]
    },
    {
      "resolution_limits": [3.438,2.730],
      "number_observations_unique": 6160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        }
      ]
    },
    {
      "resolution_limits": [22.19,3.438],
      "number_observations_unique": 3115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        }
      ]
    }
  ]

}
  

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


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