Data quality metrics extracted from 4nwn.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": "9d76b06dbe0e307693a941385b9da3a6",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 246.01,
    "b": 246.01,
    "c": 290.94,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.927,4.500],
    "number_observations_unique": 59814,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.136
      },
      {
        "type": "I/SigI",
        "value": 13.080
      },
      {
        "type": "Completeness",
        "value": 98.300
      },
      {
        "type": "Redundancy",
        "value": 7.30
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.620,4.500],
      "number_observations": 32171,
      "number_observations_unique": 32171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.974
        },
        {
          "type": "I/SigI",
          "value": 2.110
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 7.45
        }
      ]
    },
    {
      "resolution_limits": [4.740,4.620],
      "number_observations": 32439,
      "number_observations_unique": 32439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.820
        },
        {
          "type": "I/SigI",
          "value": 2.510
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 7.51
        }
      ]
    },
    {
      "resolution_limits": [4.880,4.740],
      "number_observations": 31465,
      "number_observations_unique": 31465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.701
        },
        {
          "type": "I/SigI",
          "value": 2.970
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 7.51
        }
      ]
    },
    {
      "resolution_limits": [5.030,4.880],
      "number_observations": 30410,
      "number_observations_unique": 30410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.695
        },
        {
          "type": "I/SigI",
          "value": 3.040
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [5.200,5.030],
      "number_observations": 29129,
      "number_observations_unique": 29189,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.546
        },
        {
          "type": "I/SigI",
          "value": 3.750
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 7.39
        }
      ]
    },
    {
      "resolution_limits": [5.380,5.200],
      "number_observations": 27849,
      "number_observations_unique": 27849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.465
        },
        {
          "type": "I/SigI",
          "value": 4.360
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 7.32
        }
      ]
    },
    {
      "resolution_limits": [5.580,5.380],
      "number_observations": 26476,
      "number_observations_unique": 26476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.447
        },
        {
          "type": "I/SigI",
          "value": 4.480
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 7.18
        }
      ]
    },
    {
      "resolution_limits": [5.810,5.580],
      "number_observations": 23763,
      "number_observations_unique": 23763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.404
        },
        {
          "type": "I/SigI",
          "value": 4.810
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 6.80
        }
      ]
    },
    {
      "resolution_limits": [6.070,5.810],
      "number_observations": 23663,
      "number_observations_unique": 23663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 5.470
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 6.98
        }
      ]
    },
    {
      "resolution_limits": [6.360,6.070],
      "number_observations": 24767,
      "number_observations_unique": 24767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "I/SigI",
          "value": 6.390
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 7.64
        }
      ]
    },
    {
      "resolution_limits": [6.710,6.360],
      "number_observations": 23390,
      "number_observations_unique": 23390,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "I/SigI",
          "value": 8.430
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 7.54
        }
      ]
    },
    {
      "resolution_limits": [7.110,6.710],
      "number_observations": 21769,
      "number_observations_unique": 21769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 11.230
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 7.48
        }
      ]
    },
    {
      "resolution_limits": [7.600,7.110],
      "number_observations": 20448,
      "number_observations_unique": 20448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 16.600
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 7.35
        }
      ]
    },
    {
      "resolution_limits": [8.210,7.600],
      "number_observations": 18243,
      "number_observations_unique": 18243,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 24.360
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 7.12
        }
      ]
    },
    {
      "resolution_limits": [9.000,8.210],
      "number_observations": 15114,
      "number_observations_unique": 15114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 32.800
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 6.49
        }
      ]
    },
    {
      "resolution_limits": [10.060,9.000],
      "number_observations": 16272,
      "number_observations_unique": 16272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 41.380
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 7.56
        }
      ]
    },
    {
      "resolution_limits": [11.620,10.060],
      "number_observations": 14165,
      "number_observations_unique": 14165,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 48.520
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [14.230,11.620],
      "number_observations": 11711,
      "number_observations_unique": 11711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 54.680
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 7.18
        }
      ]
    },
    {
      "resolution_limits": [20.120,14.230],
      "number_observations": 8079,
      "number_observations_unique": 8079,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 54.980
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 6.45
        }
      ]
    },
    {
      "resolution_limits": [93.927,20.120],
      "number_observations": 5187,
      "number_observations_unique": 5187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 68.270
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 7.07
        }
      ]
    }
  ]

}
  

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


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