Data quality metrics extracted from 3ur6.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": "ca67762275d57e1da491c39346594ac7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.244,
    "b": 35.932,
    "c": 112.974,
    "alpha": 90.00,
    "beta": 97.96,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [111.89,1.50],
    "number_observations_unique": 47402,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 12.6179
      },
      {
        "type": "Completeness",
        "value": 99.09
      },
      {
        "type": "Redundancy",
        "value": 3.24
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.50],
      "number_observations": 21664,
      "number_observations_unique": 6899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.56
        },
        {
          "type": "I/SigI",
          "value": 2.08
        },
        {
          "type": "Completeness",
          "value": 99.68
        },
        {
          "type": "Redundancy",
          "value": 3.14
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.58],
      "number_observations": 21134,
      "number_observations_unique": 6557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35
        },
        {
          "type": "I/SigI",
          "value": 3.28
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 3.22
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.68],
      "number_observations": 20881,
      "number_observations_unique": 6192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21
        },
        {
          "type": "I/SigI",
          "value": 5.13
        },
        {
          "type": "Completeness",
          "value": 99.91
        },
        {
          "type": "Redundancy",
          "value": 3.37
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.79],
      "number_observations": 18739,
      "number_observations_unique": 5705,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 8.08
        },
        {
          "type": "Completeness",
          "value": 99.82
        },
        {
          "type": "Redundancy",
          "value": 3.28
        }
      ]
    },
    {
      "resolution_limits": [2.12,1.94],
      "number_observations": 17092,
      "number_observations_unique": 5293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 12.55
        },
        {
          "type": "Completeness",
          "value": 99.57
        },
        {
          "type": "Redundancy",
          "value": 3.23
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.12],
      "number_observations": 16210,
      "number_observations_unique": 4772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 17.21
        },
        {
          "type": "Completeness",
          "value": 99.13
        },
        {
          "type": "Redundancy",
          "value": 3.40
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.37],
      "number_observations": 13318,
      "number_observations_unique": 4207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 20.20
        },
        {
          "type": "Completeness",
          "value": 98.70
        },
        {
          "type": "Redundancy",
          "value": 3.17
        }
      ]
    },
    {
      "resolution_limits": [3.35,2.74],
      "number_observations": 11122,
      "number_observations_unique": 3518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 27.75
        },
        {
          "type": "Completeness",
          "value": 97.51
        },
        {
          "type": "Redundancy",
          "value": 3.16
        }
      ]
    },
    {
      "resolution_limits": [4.74,3.35],
      "number_observations": 8735,
      "number_observations_unique": 2727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 36.28
        },
        {
          "type": "Completeness",
          "value": 96.20
        },
        {
          "type": "Redundancy",
          "value": 3.20
        }
      ]
    },
    {
      "resolution_limits": [111.89,4.74],
      "number_observations": 4692,
      "number_observations_unique": 1532,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 35.39
        },
        {
          "type": "Completeness",
          "value": 95.03
        },
        {
          "type": "Redundancy",
          "value": 3.06
        }
      ]
    }
  ]

}
  

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


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