Data quality metrics extracted from 4don.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": "368469f6559289781271c90f9398852c",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 32.84,
    "b": 47.00,
    "c": 78.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.31,1.52],
    "number_observations_unique": 19456,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.186
      },
      {
        "type": "I/SigI",
        "value": 3.800
      },
      {
        "type": "Completeness",
        "value": 97.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.420,1.340],
      "number_observations": 11682,
      "number_observations_unique": 3955,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.254
        },
        {
          "type": "I/SigI",
          "value": 0.870
        },
        {
          "type": "Completeness",
          "value": 87.900
        }
      ]
    },
    {
      "resolution_limits": [1.520,1.420],
      "number_observations": 16452,
      "number_observations_unique": 4217,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.873
        },
        {
          "type": "I/SigI",
          "value": 1.510
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [1.640,1.520],
      "number_observations": 15508,
      "number_observations_unique": 3959,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.573
        },
        {
          "type": "I/SigI",
          "value": 2.250
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.640],
      "number_observations": 14275,
      "number_observations_unique": 3625,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.412
        },
        {
          "type": "I/SigI",
          "value": 3.080
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.800],
      "number_observations": 12880,
      "number_observations_unique": 3294,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 4.220
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.010],
      "number_observations": 11540,
      "number_observations_unique": 2958,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.206
        },
        {
          "type": "I/SigI",
          "value": 5.880
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.320],
      "number_observations": 9735,
      "number_observations_unique": 2510,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.184
        },
        {
          "type": "I/SigI",
          "value": 7.070
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.000,2.840],
      "number_observations": 7437,
      "number_observations_unique": 1987,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 8.390
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [30.31,4.000],
      "number_observations": 3846,
      "number_observations_unique": 1131,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 8.280
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    }
  ]

}
  

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


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