Data quality metrics extracted from 2g5k.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": "0d251a7098fe36f1867c8fe77994b2d8",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 33.123,
    "b": 33.123,
    "c": 116.421,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.850,2.800],
    "number_observations_unique": 3533,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 16.800
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 5.590
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.90,2.80],
      "number_observations": 1993,
      "number_observations_unique": 346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.397
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Redundancy",
          "value": 5.76
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.90],
      "number_observations": 2190,
      "number_observations_unique": 380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Redundancy",
          "value": 5.76
        }
      ]
    },
    {
      "resolution_limits": [3.15,3.02],
      "number_observations": 1872,
      "number_observations_unique": 326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 5.1
        },
        {
          "type": "Redundancy",
          "value": 5.74
        }
      ]
    },
    {
      "resolution_limits": [3.32,3.15],
      "number_observations": 2121,
      "number_observations_unique": 367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 7.5
        },
        {
          "type": "Redundancy",
          "value": 5.78
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.32],
      "number_observations": 1918,
      "number_observations_unique": 334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Redundancy",
          "value": 5.74
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.53],
      "number_observations": 2092,
      "number_observations_unique": 364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 13.4
        },
        {
          "type": "Redundancy",
          "value": 5.73
        }
      ]
    },
    {
      "resolution_limits": [4.18,3.80],
      "number_observations": 2024,
      "number_observations_unique": 361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 21.1
        },
        {
          "type": "Redundancy",
          "value": 5.56
        }
      ]
    },
    {
      "resolution_limits": [4.78,4.18],
      "number_observations": 1942,
      "number_observations_unique": 354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 28.5
        },
        {
          "type": "Redundancy",
          "value": 5.43
        }
      ]
    },
    {
      "resolution_limits": [6.01,4.78],
      "number_observations": 1849,
      "number_observations_unique": 337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 38.3
        },
        {
          "type": "Redundancy",
          "value": 5.37
        }
      ]
    },
    {
      "resolution_limits": [27.85,6.01],
      "number_observations": 1886,
      "number_observations_unique": 364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 45.5
        },
        {
          "type": "Redundancy",
          "value": 5.01
        }
      ]
    }
  ]

}
  

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


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