Data quality metrics extracted from 3ur9.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": "f9838a27c4aaff24e493448948e76df3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 37.649,
    "b": 66.865,
    "c": 125.109,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [125.11,1.65],
    "number_observations_unique": 38969,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 16.1525
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 6.56
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.65],
      "number_observations": 37704,
      "number_observations_unique": 5570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.66
        },
        {
          "type": "I/SigI",
          "value": 2.88
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 6.77
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.74],
      "number_observations": 35052,
      "number_observations_unique": 5292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "I/SigI",
          "value": 4.21
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.62
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.84],
      "number_observations": 32373,
      "number_observations_unique": 5039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "I/SigI",
          "value": 6.98
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.42
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.97],
      "number_observations": 31594,
      "number_observations_unique": 4639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 11.17
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 6.81
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.13],
      "number_observations": 28563,
      "number_observations_unique": 4323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "I/SigI",
          "value": 14.57
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.61
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.33],
      "number_observations": 25299,
      "number_observations_unique": 3889,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 18.42
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 6.51
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.61],
      "number_observations": 23514,
      "number_observations_unique": 3488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 26.80
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.74
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.01],
      "number_observations": 18555,
      "number_observations_unique": 2984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 36.26
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 6.22
        }
      ]
    },
    {
      "resolution_limits": [5.22,3.69],
      "number_observations": 14999,
      "number_observations_unique": 2353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 46.07
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 6.37
        }
      ]
    },
    {
      "resolution_limits": [125.11,5.22],
      "number_observations": 7953,
      "number_observations_unique": 1392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 42.72
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 5.71
        }
      ]
    }
  ]

}
  

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


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