Data quality metrics extracted from 7u4a.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": "e18ce45aa105d09bccb7d16c86f3d146",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.421,
    "b": 39.137,
    "c": 66.583,
    "alpha": 90.000,
    "beta": 94.339,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.2,3.15],
    "number_observations_unique": 4391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.136
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [33.2,7.46],
      "number_observations_unique": 344,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [7.46,5.92],
      "number_observations_unique": 350,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [5.92,5.17],
      "number_observations_unique": 337,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.7],
      "number_observations_unique": 338,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [4.7,4.36],
      "number_observations_unique": 338,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.36,4.11],
      "number_observations_unique": 344,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.9],
      "number_observations_unique": 319,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.9,3.73],
      "number_observations_unique": 334,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.59],
      "number_observations_unique": 347,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.46],
      "number_observations_unique": 324,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.36],
      "number_observations_unique": 346,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [3.36,3.26],
      "number_observations_unique": 328,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.17],
      "number_observations_unique": 342,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    }
  ]

}
  

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


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