Data quality metrics extracted from 5xfe.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": "504c2acaf5475a16089dd3e285ccde17",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 47.90,
    "b": 77.03,
    "c": 84.53,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,1.5],
    "number_observations": 4354445,
    "number_observations_unique": 93667,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.712658
      },
      {
        "type": "Completeness",
        "value": 96.7275
      },
      {
        "type": "Redundancy",
        "value": 46.4886
      },
      {
        "type": "CC(1/2)",
        "value": 0.9244910
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [25.000,3.118],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.87
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 94.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.8898
        }
      ]
    },
    {
      "resolution_limits": [3.118,2.476],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.53
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 66.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.8896
        }
      ]
    },
    {
      "resolution_limits": [2.476,2.163],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.08
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 64.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.8934
        }
      ]
    },
    {
      "resolution_limits": [2.163,1.965],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.55
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 58.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.8790
        }
      ]
    },
    {
      "resolution_limits": [1.965,1.824],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.66
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 51.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.8358
        }
      ]
    },
    {
      "resolution_limits": [1.824,1.717],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.82
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 39.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.6852
        }
      ]
    },
    {
      "resolution_limits": [1.717,1.631],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.06
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 19.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.3691
        }
      ]
    },
    {
      "resolution_limits": [1.631,1.560],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.71
        },
        {
          "type": "Completeness",
          "value": 99.03
        },
        {
          "type": "Redundancy",
          "value": 8.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.1719
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.500],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 71.46
        },
        {
          "type": "Redundancy",
          "value": 3.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.0787
        }
      ]
    }
  ]

}
  

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


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