Data quality metrics extracted from 2dwu.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": "81e8306a2e66648207f2e7616762cd80",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 85.783,
    "b": 49.659,
    "c": 198.252,
    "alpha": 90.000,
    "beta": 90.065,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.530],
    "number_observations_unique": 105445,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 22.740
      },
      {
        "type": "Completeness",
        "value": 83.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.53],
      "number_observations": 33008,
      "number_observations_unique": 8447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 42.00
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.62],
      "number_observations": 66333,
      "number_observations_unique": 12405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 8.9
        },
        {
          "type": "Completeness",
          "value": 65.60
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.74],
      "number_observations": 105408,
      "number_observations_unique": 16436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 14.0
        },
        {
          "type": "Completeness",
          "value": 93.00
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.87],
      "number_observations": 108885,
      "number_observations_unique": 16028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 20.2
        },
        {
          "type": "Completeness",
          "value": 98.00
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.05],
      "number_observations": 99477,
      "number_observations_unique": 14419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 26.3
        },
        {
          "type": "Completeness",
          "value": 98.40
        }
      ]
    },
    {
      "resolution_limits": [2.64,2.29],
      "number_observations": 90876,
      "number_observations_unique": 12995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 30.4
        },
        {
          "type": "Completeness",
          "value": 99.10
        }
      ]
    },
    {
      "resolution_limits": [3.22,2.64],
      "number_observations": 79226,
      "number_observations_unique": 11057,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 34.7
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    },
    {
      "resolution_limits": [20.0,3.22],
      "number_observations": 63145,
      "number_observations_unique": 8746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 38.7
        },
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    }
  ]

}
  

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


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