Data quality metrics extracted from 6dhh.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": "6edfce2c1533adffd5b9b78529b29990",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 117.691,
    "b": 222.529,
    "c": 308.514,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.30500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.85,2.20],
    "number_observations_unique": 407641,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.602
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 133.39
      },
      {
        "type": "CC(1/2)",
        "value": 0.960
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [30.85,5.972],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 81.921
        },
        {
          "type": "Completeness",
          "value": 99.10
        },
        {
          "type": "Redundancy",
          "value": 555.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [5.972,4.740],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 33.914
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 372.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [4.740,4.141],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 30.503
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 316.50
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [4.141,3.762],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 18.039
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 280.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [3.762,3.492],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 11.780
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 254.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [3.492,3.286],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 8.707
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 234.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.827
        }
      ]
    },
    {
      "resolution_limits": [3.286,3.122],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 5.373
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 181.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.708
        }
      ]
    },
    {
      "resolution_limits": [3.122,2.986],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.288
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 103.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.576
        }
      ]
    },
    {
      "resolution_limits": [2.986,2.871],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.501
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 65.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.435
        }
      ]
    },
    {
      "resolution_limits": [2.871,2.772],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 47.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.314
        }
      ]
    },
    {
      "resolution_limits": [2.772,2.685],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.619
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 38.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.180
        }
      ]
    },
    {
      "resolution_limits": [2.685,2.608],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.366
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 31.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.123
        }
      ]
    },
    {
      "resolution_limits": [2.608,2.540],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.188
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 26.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.076
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.478],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.151
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 23.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.073
        }
      ]
    },
    {
      "resolution_limits": [2.478,2.421],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.995
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 21.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.038
        }
      ]
    },
    {
      "resolution_limits": [2.421,2.370],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.904
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 19.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.030
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.322],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.872
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 17.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.021
        }
      ]
    },
    {
      "resolution_limits": [2.322,2.279],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.789
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 15.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.015
        }
      ]
    },
    {
      "resolution_limits": [2.279,2.238],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.755
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.006
        }
      ]
    },
    {
      "resolution_limits": [2.238,2.200],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.707
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 13.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.006
        }
      ]
    }
  ]

}
  

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


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