Data quality metrics extracted from 6iu3.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": "9b347fe3e9d486fec8c60692a026f318",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 46.90,
    "b": 290.24,
    "c": 45.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.3750,2.7001],
    "number_observations": 115869,
    "number_observations_unique": 16510,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1134
      },
      {
        "type": "I/SigI",
        "value": 14.5139
      },
      {
        "type": "Completeness",
        "value": 99.6154
      },
      {
        "type": "Redundancy",
        "value": 12.7820
      },
      {
        "type": "CC(1/2)",
        "value": 0.9975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [48.3827,5.8142],
      "number_observations": 12995,
      "number_observations_unique": 993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0575
        },
        {
          "type": "I/SigI",
          "value": 41.4791
        },
        {
          "type": "Redundancy",
          "value": 13.0866
        },
        {
          "type": "CC(1/2)",
          "value": 0.9964
        }
      ]
    },
    {
      "resolution_limits": [5.8142,4.6160],
      "number_observations": 12940,
      "number_observations_unique": 929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0689
        },
        {
          "type": "I/SigI",
          "value": 32.1120
        },
        {
          "type": "Redundancy",
          "value": 13.9290
        },
        {
          "type": "CC(1/2)",
          "value": 0.9993
        }
      ]
    },
    {
      "resolution_limits": [4.6160,4.0329],
      "number_observations": 12373,
      "number_observations_unique": 905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1060
        },
        {
          "type": "I/SigI",
          "value": 26.4377
        },
        {
          "type": "Redundancy",
          "value": 13.6718
        },
        {
          "type": "CC(1/2)",
          "value": 0.9979
        }
      ]
    },
    {
      "resolution_limits": [4.0329,3.6643],
      "number_observations": 10958,
      "number_observations_unique": 900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1496
        },
        {
          "type": "I/SigI",
          "value": 15.0151
        },
        {
          "type": "Redundancy",
          "value": 12.1756
        },
        {
          "type": "CC(1/2)",
          "value": 0.9945
        }
      ]
    },
    {
      "resolution_limits": [3.6643,3.4017],
      "number_observations": 10749,
      "number_observations_unique": 909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2436
        },
        {
          "type": "I/SigI",
          "value": 9.2944
        },
        {
          "type": "Redundancy",
          "value": 11.8251
        },
        {
          "type": "CC(1/2)",
          "value": 0.9873
        }
      ]
    },
    {
      "resolution_limits": [3.4017,3.2012],
      "number_observations": 10124,
      "number_observations_unique": 898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3875
        },
        {
          "type": "I/SigI",
          "value": 5.6743
        },
        {
          "type": "Redundancy",
          "value": 11.2739
        },
        {
          "type": "CC(1/2)",
          "value": 0.9751
        }
      ]
    },
    {
      "resolution_limits": [3.2012,3.0409],
      "number_observations": 10975,
      "number_observations_unique": 883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5424
        },
        {
          "type": "I/SigI",
          "value": 3.9096
        },
        {
          "type": "Redundancy",
          "value": 12.4292
        },
        {
          "type": "CC(1/2)",
          "value": 0.9731
        }
      ]
    },
    {
      "resolution_limits": [3.0409,2.9086],
      "number_observations": 11310,
      "number_observations_unique": 881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7088
        },
        {
          "type": "I/SigI",
          "value": 3.0327
        },
        {
          "type": "Redundancy",
          "value": 12.8377
        },
        {
          "type": "CC(1/2)",
          "value": 0.9637
        }
      ]
    },
    {
      "resolution_limits": [2.9086,2.7966],
      "number_observations": 11713,
      "number_observations_unique": 894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9458
        },
        {
          "type": "I/SigI",
          "value": 2.2529
        },
        {
          "type": "Redundancy",
          "value": 13.1018
        },
        {
          "type": "CC(1/2)",
          "value": 0.9313
        }
      ]
    },
    {
      "resolution_limits": [2.7966,2.7001],
      "number_observations": 11732,
      "number_observations_unique": 873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3778
        },
        {
          "type": "I/SigI",
          "value": 1.6334
        },
        {
          "type": "Redundancy",
          "value": 13.4387
        },
        {
          "type": "CC(1/2)",
          "value": 0.8977
        }
      ]
    }
  ]

}
  

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


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