Data quality metrics extracted from 3b28.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": "ec140a421bdfb986dd8d4942b0955a90",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 106.98,
    "b": 98.81,
    "c": 64.18,
    "alpha": 90.00,
    "beta": 124.43,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 108846,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 12.500
      },
      {
        "type": "Completeness",
        "value": 90.800
      },
      {
        "type": "Redundancy",
        "value": 1.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.35],
      "number_observations": 14344,
      "number_observations_unique": 7947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "R(meas)",
          "value": 0.39
        },
        {
          "type": "Completeness",
          "value": 90.23
        },
        {
          "type": "Redundancy",
          "value": 1.80
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.39],
      "number_observations": 13775,
      "number_observations_unique": 7712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "R(meas)",
          "value": 0.32
        },
        {
          "type": "Completeness",
          "value": 88.98
        },
        {
          "type": "Redundancy",
          "value": 1.79
        }
      ]
    },
    {
      "resolution_limits": [1.47,1.42],
      "number_observations": 13011,
      "number_observations_unique": 7440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "R(meas)",
          "value": 0.26
        },
        {
          "type": "Completeness",
          "value": 88.98
        },
        {
          "type": "Redundancy",
          "value": 1.75
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.47],
      "number_observations": 13907,
      "number_observations_unique": 7455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16
        },
        {
          "type": "R(meas)",
          "value": 0.21
        },
        {
          "type": "Completeness",
          "value": 91.73
        },
        {
          "type": "Redundancy",
          "value": 1.87
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.51],
      "number_observations": 13484,
      "number_observations_unique": 7292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "R(meas)",
          "value": 0.17
        },
        {
          "type": "Completeness",
          "value": 92.18
        },
        {
          "type": "Redundancy",
          "value": 1.85
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.56],
      "number_observations": 12965,
      "number_observations_unique": 7057,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.14
        },
        {
          "type": "Completeness",
          "value": 92.08
        },
        {
          "type": "Redundancy",
          "value": 1.84
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.61],
      "number_observations": 12329,
      "number_observations_unique": 6734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "R(meas)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 91.93
        },
        {
          "type": "Redundancy",
          "value": 1.83
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.68],
      "number_observations": 11491,
      "number_observations_unique": 6407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "R(meas)",
          "value": 0.10
        },
        {
          "type": "Completeness",
          "value": 89.90
        },
        {
          "type": "Redundancy",
          "value": 1.79
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.74],
      "number_observations": 10663,
      "number_observations_unique": 6129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 90.12
        },
        {
          "type": "Redundancy",
          "value": 1.74
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.82],
      "number_observations": 11372,
      "number_observations_unique": 6086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 93.21
        },
        {
          "type": "Redundancy",
          "value": 1.87
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.91],
      "number_observations": 10666,
      "number_observations_unique": 5728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 92.78
        },
        {
          "type": "Redundancy",
          "value": 1.86
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.01],
      "number_observations": 10004,
      "number_observations_unique": 5403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "R(meas)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 92.26
        },
        {
          "type": "Redundancy",
          "value": 1.85
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.14],
      "number_observations": 9331,
      "number_observations_unique": 5045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 91.30
        },
        {
          "type": "Redundancy",
          "value": 1.85
        }
      ]
    },
    {
      "resolution_limits": [2.47,2.28],
      "number_observations": 7877,
      "number_observations_unique": 4542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 88.49
        },
        {
          "type": "Redundancy",
          "value": 1.73
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.47],
      "number_observations": 7942,
      "number_observations_unique": 4364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 92.59
        },
        {
          "type": "Redundancy",
          "value": 1.82
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.70],
      "number_observations": 7694,
      "number_observations_unique": 3939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 91.89
        },
        {
          "type": "Redundancy",
          "value": 1.95
        }
      ]
    },
    {
      "resolution_limits": [3.49,3.02],
      "number_observations": 6690,
      "number_observations_unique": 3423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 90.58
        },
        {
          "type": "Redundancy",
          "value": 1.95
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.49],
      "number_observations": 5398,
      "number_observations_unique": 2814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 87.40
        },
        {
          "type": "Redundancy",
          "value": 1.92
        }
      ]
    },
    {
      "resolution_limits": [6.04,4.27],
      "number_observations": 4062,
      "number_observations_unique": 2148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 86.76
        },
        {
          "type": "Redundancy",
          "value": 1.89
        }
      ]
    },
    {
      "resolution_limits": [35.44,6.04],
      "number_observations": 2531,
      "number_observations_unique": 1181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 85.03
        },
        {
          "type": "Redundancy",
          "value": 2.14
        }
      ]
    }
  ]

}
  

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


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