Data quality metrics extracted from 6d3p.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": "34de8a88cc44cbfa0f2128ba722d374c",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 83.40,
    "b": 83.40,
    "c": 94.21,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.09720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.455,1.850],
    "number_observations": 713044,
    "number_observations_unique": 27657,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.592
      },
      {
        "type": "R(meas)",
        "value": 0.612
      },
      {
        "type": "I/SigI",
        "value": 7.140
      },
      {
        "type": "Completeness",
        "value": 88.600
      },
      {
        "type": "Redundancy",
        "value": 25.782
      },
      {
        "type": "CC(1/2)",
        "value": 0.884
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.900,1.850],
      "number_observations": 919,
      "number_observations_unique": 542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.080
        },
        {
          "type": "R(meas)",
          "value": 4.131
        },
        {
          "type": "I/SigI",
          "value": 0.150
        },
        {
          "type": "Completeness",
          "value": 23.700
        },
        {
          "type": "Redundancy",
          "value": 1.696
        },
        {
          "type": "CC(1/2)",
          "value": 0.147
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.900],
      "number_observations": 3357,
      "number_observations_unique": 1305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.512
        },
        {
          "type": "R(meas)",
          "value": 1.530
        },
        {
          "type": "I/SigI",
          "value": 0.670
        },
        {
          "type": "Completeness",
          "value": 58.400
        },
        {
          "type": "Redundancy",
          "value": 2.572
        },
        {
          "type": "CC(1/2)",
          "value": 0.338
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.950],
      "number_observations": 6910,
      "number_observations_unique": 1771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.575
        },
        {
          "type": "R(meas)",
          "value": 0.581
        },
        {
          "type": "I/SigI",
          "value": 1.670
        },
        {
          "type": "Completeness",
          "value": 80.800
        },
        {
          "type": "Redundancy",
          "value": 3.902
        },
        {
          "type": "CC(1/2)",
          "value": 0.708
        }
      ]
    },
    {
      "resolution_limits": [2.070,2.010],
      "number_observations": 9720,
      "number_observations_unique": 1921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 4.420
        },
        {
          "type": "Completeness",
          "value": 90.400
        },
        {
          "type": "Redundancy",
          "value": 5.060
        },
        {
          "type": "CC(1/2)",
          "value": 0.825
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.070],
      "number_observations": 12270,
      "number_observations_unique": 1933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 10.870
        },
        {
          "type": "Completeness",
          "value": 93.200
        },
        {
          "type": "Redundancy",
          "value": 6.348
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.140],
      "number_observations": 18047,
      "number_observations_unique": 1918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 20.760
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 9.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.210],
      "number_observations": 26187,
      "number_observations_unique": 1903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 32.850
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 13.761
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.300],
      "number_observations": 37475,
      "number_observations_unique": 1855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 53.650
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 20.202
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.390],
      "number_observations": 48139,
      "number_observations_unique": 1770,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 71.840
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 27.197
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.500],
      "number_observations": 63696,
      "number_observations_unique": 1696,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 81.550
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 37.557
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.620],
      "number_observations": 66513,
      "number_observations_unique": 1598,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 41.623
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.760],
      "number_observations": 63337,
      "number_observations_unique": 1524,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 41.560
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.930],
      "number_observations": 58934,
      "number_observations_unique": 1435,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 41.069
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.130],
      "number_observations": 57617,
      "number_observations_unique": 1338,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 43.062
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.380],
      "number_observations": 57007,
      "number_observations_unique": 1223,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 46.612
        }
      ]
    },
    {
      "resolution_limits": [4.140,3.700],
      "number_observations": 52077,
      "number_observations_unique": 1109,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 46.959
        }
      ]
    },
    {
      "resolution_limits": [4.780,4.140],
      "number_observations": 46315,
      "number_observations_unique": 985,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 47.020
        }
      ]
    },
    {
      "resolution_limits": [5.860,4.780],
      "number_observations": 38736,
      "number_observations_unique": 826,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 46.896
        }
      ]
    },
    {
      "resolution_limits": [8.280,5.860],
      "number_observations": 30199,
      "number_observations_unique": 648,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 46.603
        }
      ]
    },
    {
      "resolution_limits": [39.455,8.280],
      "number_observations": 15589,
      "number_observations_unique": 357,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 43.667
        }
      ]
    }
  ]

}
  

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


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