Data quality metrics extracted from 9dtp.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": "96956a493cb9f6ecc0d0009e3263a548",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 107.026,
    "b": 205.045,
    "c": 295.320,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.05,3.11],
    "number_observations_unique": 112050,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.26
      },
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 96.01
      },
      {
        "type": "Redundancy",
        "value": 4.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.22,3.11],
      "number_observations_unique": 11431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.354
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 99.02
        },
        {
          "type": "Redundancy",
          "value": 4.45
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.22],
      "number_observations_unique": 11575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.046
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 4.62
        }
      ]
    },
    {
      "resolution_limits": [3.50,3.35],
      "number_observations_unique": 7039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.821
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 61.14
        },
        {
          "type": "Redundancy",
          "value": 4.50
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.50],
      "number_observations_unique": 11587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.563
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 4.35
        }
      ]
    },
    {
      "resolution_limits": [3.92,3.69],
      "number_observations_unique": 11570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.414
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 4.49
        }
      ]
    },
    {
      "resolution_limits": [4.22,3.92],
      "number_observations_unique": 11605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 4.66
        }
      ]
    },
    {
      "resolution_limits": [4.63,4.22],
      "number_observations_unique": 11680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 4.49
        }
      ]
    },
    {
      "resolution_limits": [5.29,4.63],
      "number_observations_unique": 11691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 4.31
        }
      ]
    },
    {
      "resolution_limits": [6.63,5.29],
      "number_observations_unique": 11778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.176
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 4.34
        }
      ]
    },
    {
      "resolution_limits": [20.05,6.63],
      "number_observations_unique": 12094,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 12.5
        },
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    }
  ]

}
  

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


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