Data quality metrics extracted from 6uop.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": "616fc75b68c4e327ad51afa9bfc823ce",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 4.71,
    "b": 11.49,
    "c": 38.90,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.01970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [5.745,1.350],
    "number_observations": 1981,
    "number_observations_unique": 405,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "R(meas)",
        "value": 0.215
      },
      {
        "type": "I/SigI",
        "value": 3.770
      },
      {
        "type": "Completeness",
        "value": 68.600
      },
      {
        "type": "Redundancy",
        "value": 4.891
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.560,1.350],
      "number_observations": 610,
      "number_observations_unique": 151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.370
        },
        {
          "type": "R(meas)",
          "value": 0.426
        },
        {
          "type": "I/SigI",
          "value": 2.050
        },
        {
          "type": "Completeness",
          "value": 71.900
        },
        {
          "type": "Redundancy",
          "value": 4.040
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.560],
      "number_observations": 405,
      "number_observations_unique": 101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.324
        },
        {
          "type": "R(meas)",
          "value": 0.374
        },
        {
          "type": "I/SigI",
          "value": 3.060
        },
        {
          "type": "Completeness",
          "value": 66.900
        },
        {
          "type": "Redundancy",
          "value": 4.010
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [2.700,1.910],
      "number_observations": 628,
      "number_observations_unique": 97,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        },
        {
          "type": "R(meas)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 4.990
        },
        {
          "type": "Completeness",
          "value": 68.800
        },
        {
          "type": "Redundancy",
          "value": 6.474
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [5.745,2.700],
      "number_observations": 338,
      "number_observations_unique": 56,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 7.600
        },
        {
          "type": "Completeness",
          "value": 63.600
        },
        {
          "type": "Redundancy",
          "value": 6.036
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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