Data quality metrics extracted from 2gwh.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": "058f67f1330fb5baf14021ebaae8eaeb",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 135.216,
    "b": 135.216,
    "c": 158.072,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.800],
    "number_observations_unique": 67599,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "I/SigI",
        "value": 7.200
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 14.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "number_observations_unique": 6628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.895
        },
        {
          "type": "Redundancy",
          "value": 10.80
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.86],
      "number_observations_unique": 6677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "Redundancy",
          "value": 14.00
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.94],
      "number_observations_unique": 6684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.482
        },
        {
          "type": "Redundancy",
          "value": 14.10
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.03],
      "number_observations_unique": 6719,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "Redundancy",
          "value": 14.20
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.13],
      "number_observations_unique": 6700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "Redundancy",
          "value": 14.40
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.27],
      "number_observations_unique": 6722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "Redundancy",
          "value": 14.50
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.44],
      "number_observations_unique": 6753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "Redundancy",
          "value": 14.60
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.69],
      "number_observations_unique": 6791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Redundancy",
          "value": 14.60
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.08],
      "number_observations_unique": 6849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "Redundancy",
          "value": 14.70
        }
      ]
    },
    {
      "resolution_limits": [30.00,3.88],
      "number_observations_unique": 7076,
      "quality_factors": [
        {
          "type": "Redundancy",
          "value": 14.30
        }
      ]
    }
  ]

}
  

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


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