Data quality metrics extracted from 4e16.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": "fe7d72a1f9957c7502651baf0fce7f48",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 60.245,
    "b": 60.245,
    "c": 147.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.797,2.490],
    "number_observations_unique": 10113,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 12.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.530,2.490],
      "number_observations_unique": 477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.924
        },
        {
          "type": "I/SigI",
          "value": 2.59
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 8.90
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.530],
      "number_observations_unique": 489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.961
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.20
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.580],
      "number_observations_unique": 489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.964
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.10
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.630],
      "number_observations_unique": 496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.783
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.00
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.680],
      "number_observations_unique": 504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.740
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.50
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.740],
      "number_observations_unique": 479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.591
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.90
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.800],
      "number_observations_unique": 497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.525
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.90
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.870],
      "number_observations_unique": 492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.10
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.950],
      "number_observations_unique": 509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.00
        }
      ]
    },
    {
      "resolution_limits": [3.140,3.040],
      "number_observations_unique": 499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.00
        }
      ]
    },
    {
      "resolution_limits": [3.250,3.140],
      "number_observations_unique": 490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.90
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.250],
      "number_observations_unique": 504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.80
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.380],
      "number_observations_unique": 517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.80
        }
      ]
    },
    {
      "resolution_limits": [3.720,3.530],
      "number_observations_unique": 498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.80
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.720],
      "number_observations_unique": 514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.70
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.950],
      "number_observations_unique": 522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.50
        }
      ]
    },
    {
      "resolution_limits": [4.690,4.260],
      "number_observations_unique": 513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [5.360,4.690],
      "number_observations_unique": 528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.90
        }
      ]
    },
    {
      "resolution_limits": [6.750,5.360],
      "number_observations_unique": 543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 11.30
        }
      ]
    },
    {
      "resolution_limits": [50.000,6.750],
      "number_observations_unique": 553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "Completeness",
          "value": 91.1
        },
        {
          "type": "Redundancy",
          "value": 9.70
        }
      ]
    }
  ]

}
  

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


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