Data quality metrics extracted from 29ei.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "e1e9fd471102937d3a3b9896868ab45c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 90.50,
    "b": 72.83,
    "c": 103.40,
    "alpha": 90.00,
    "beta": 97.33,
    "gamma": 90.00
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.921,1.31],
    "number_observations_unique": 289256,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 6.67
      },
      {
        "type": "Completeness",
        "value": 90.6
      },
      {
        "type": "Redundancy",
        "value": 6.807
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.34,1.31],
      "number_observations_unique": 12336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.445
        },
        {
          "type": "R(meas)",
          "value": 1.603
        },
        {
          "type": "CC(1/2)",
          "value": 0.102
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.34],
      "number_observations_unique": 14722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.232
        },
        {
          "type": "R(meas)",
          "value": 1.358
        },
        {
          "type": "CC(1/2)",
          "value": 0.13
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.38],
      "number_observations_unique": 18105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.178
        },
        {
          "type": "R(meas)",
          "value": 1.292
        },
        {
          "type": "CC(1/2)",
          "value": 0.168
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.42],
      "number_observations_unique": 20550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.181
        },
        {
          "type": "R(meas)",
          "value": 1.275
        },
        {
          "type": "CC(1/2)",
          "value": 0.282
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.46],
      "number_observations_unique": 20266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.116
        },
        {
          "type": "R(meas)",
          "value": 1.202
        },
        {
          "type": "CC(1/2)",
          "value": 0.413
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.51],
      "number_observations_unique": 19671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.075
        },
        {
          "type": "R(meas)",
          "value": 1.158
        },
        {
          "type": "CC(1/2)",
          "value": 0.548
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.57],
      "number_observations_unique": 19063,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.952
        },
        {
          "type": "R(meas)",
          "value": 1.026
        },
        {
          "type": "CC(1/2)",
          "value": 0.653
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.62],
      "number_observations_unique": 18359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.833
        },
        {
          "type": "R(meas)",
          "value": 0.901
        },
        {
          "type": "CC(1/2)",
          "value": 0.738
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.69],
      "number_observations_unique": 17443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.692
        },
        {
          "type": "CC(1/2)",
          "value": 0.802
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.77],
      "number_observations_unique": 16951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.535
        },
        {
          "type": "CC(1/2)",
          "value": 0.907
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.85],
      "number_observations_unique": 16098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.353
        },
        {
          "type": "R(meas)",
          "value": 0.38
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.95],
      "number_observations_unique": 15382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "R(meas)",
          "value": 0.267
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.07],
      "number_observations_unique": 14438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.21],
      "number_observations_unique": 13481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.39],
      "number_observations_unique": 12268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.62],
      "number_observations_unique": 11348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.93],
      "number_observations_unique": 10052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.38],
      "number_observations_unique": 8496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.86,4.14],
      "number_observations_unique": 6507,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [47.921,5.86],
      "number_observations_unique": 3720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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