Data quality metrics extracted from 7s2g.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": "30cd9948b457fbee81c8746e65c81c76",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 77.966,
    "b": 77.966,
    "c": 37.111,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.42,1.595],
    "number_observations_unique": 29913,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.158
      },
      {
        "type": "I/SigI",
        "value": 6.44
      },
      {
        "type": "Completeness",
        "value": 99.670
      },
      {
        "type": "Redundancy",
        "value": 9.730
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.652,1.595],
      "number_observations_unique": 29913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.556
        }
      ]
    },
    {
      "resolution_limits": [1.718,1.652],
      "number_observations_unique": 27044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        }
      ]
    },
    {
      "resolution_limits": [1.796,1.718],
      "number_observations_unique": 24067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.370
        }
      ]
    },
    {
      "resolution_limits": [1.891,1.796],
      "number_observations_unique": 21077,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        }
      ]
    },
    {
      "resolution_limits": [2.009,1.891],
      "number_observations_unique": 18114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        }
      ]
    },
    {
      "resolution_limits": [2.164,2.009],
      "number_observations_unique": 15124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        }
      ]
    },
    {
      "resolution_limits": [2.382,2.164],
      "number_observations_unique": 12135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        }
      ]
    },
    {
      "resolution_limits": [2.726,2.382],
      "number_observations_unique": 9145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        }
      ]
    },
    {
      "resolution_limits": [3.434,2.726],
      "number_observations_unique": 6150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        }
      ]
    },
    {
      "resolution_limits": [25.42,3.434],
      "number_observations_unique": 3109,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        }
      ]
    }
  ]

}
  

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


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