Data quality metrics extracted from 5c2x.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": "96101754f317569097ad92b941dddc64",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 103.76,
    "b": 103.76,
    "c": 112.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.15,2.11],
    "number_observations": 207680,
    "number_observations_unique": 29931,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 12.15
      },
      {
        "type": "Completeness",
        "value": 82.3
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.11],
      "number_observations": 14244,
      "number_observations_unique": 2185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.910
        },
        {
          "type": "R(meas)",
          "value": 0.986
        },
        {
          "type": "I/SigI",
          "value": 2.02
        },
        {
          "type": "Completeness",
          "value": 82.2
        },
        {
          "type": "Redundancy",
          "value": 6.5
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.160],
      "number_observations": 14089,
      "number_observations_unique": 2187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.742
        },
        {
          "type": "R(meas)",
          "value": 0.806
        },
        {
          "type": "I/SigI",
          "value": 2.490
        },
        {
          "type": "Completeness",
          "value": 85.300
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.220],
      "number_observations": 14077,
      "number_observations_unique": 2144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.660
        },
        {
          "type": "R(meas)",
          "value": 0.715
        },
        {
          "type": "I/SigI",
          "value": 2.850
        },
        {
          "type": "Completeness",
          "value": 85.600
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.280],
      "number_observations": 14667,
      "number_observations_unique": 2056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.567
        },
        {
          "type": "R(meas)",
          "value": 0.611
        },
        {
          "type": "I/SigI",
          "value": 3.390
        },
        {
          "type": "Completeness",
          "value": 84.600
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.350],
      "number_observations": 14192,
      "number_observations_unique": 2015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.536
        },
        {
          "type": "R(meas)",
          "value": 0.578
        },
        {
          "type": "I/SigI",
          "value": 3.570
        },
        {
          "type": "Completeness",
          "value": 85.100
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.430],
      "number_observations": 13564,
      "number_observations_unique": 1938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.439
        },
        {
          "type": "R(meas)",
          "value": 0.473
        },
        {
          "type": "I/SigI",
          "value": 4.270
        },
        {
          "type": "Completeness",
          "value": 84.400
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.520],
      "number_observations": 12788,
      "number_observations_unique": 1857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "R(meas)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 5.190
        },
        {
          "type": "Completeness",
          "value": 84.100
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.610],
      "number_observations": 11672,
      "number_observations_unique": 1785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "R(meas)",
          "value": 0.308
        },
        {
          "type": "I/SigI",
          "value": 6.380
        },
        {
          "type": "Completeness",
          "value": 83.200
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.720],
      "number_observations": 11883,
      "number_observations_unique": 1700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        },
        {
          "type": "R(meas)",
          "value": 0.247
        },
        {
          "type": "I/SigI",
          "value": 7.900
        },
        {
          "type": "Completeness",
          "value": 83.100
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.840],
      "number_observations": 11857,
      "number_observations_unique": 1624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "R(meas)",
          "value": 0.196
        },
        {
          "type": "I/SigI",
          "value": 10.010
        },
        {
          "type": "Completeness",
          "value": 82.600
        }
      ]
    },
    {
      "resolution_limits": [3.140,2.980],
      "number_observations": 11310,
      "number_observations_unique": 1549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "R(meas)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 12.030
        },
        {
          "type": "Completeness",
          "value": 81.600
        }
      ]
    },
    {
      "resolution_limits": [3.330,3.140],
      "number_observations": 10307,
      "number_observations_unique": 1439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 16.250
        },
        {
          "type": "Completeness",
          "value": 81.800
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.330],
      "number_observations": 9103,
      "number_observations_unique": 1355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 19.610
        },
        {
          "type": "Completeness",
          "value": 80.300
        }
      ]
    },
    {
      "resolution_limits": [3.840,3.560],
      "number_observations": 9209,
      "number_observations_unique": 1253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 27.230
        },
        {
          "type": "Completeness",
          "value": 79.900
        }
      ]
    },
    {
      "resolution_limits": [4.210,3.840],
      "number_observations": 8545,
      "number_observations_unique": 1146,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 30.820
        },
        {
          "type": "Completeness",
          "value": 79.100
        }
      ]
    },
    {
      "resolution_limits": [4.710,4.210],
      "number_observations": 7654,
      "number_observations_unique": 1041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 36.930
        },
        {
          "type": "Completeness",
          "value": 78.400
        }
      ]
    },
    {
      "resolution_limits": [5.440,4.710],
      "number_observations": 6104,
      "number_observations_unique": 919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 33.840
        },
        {
          "type": "Completeness",
          "value": 77.600
        }
      ]
    },
    {
      "resolution_limits": [6.660,5.440],
      "number_observations": 5803,
      "number_observations_unique": 775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 30.800
        },
        {
          "type": "Completeness",
          "value": 76.700
        }
      ]
    },
    {
      "resolution_limits": [9.410,6.660],
      "number_observations": 4317,
      "number_observations_unique": 611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 43.920
        },
        {
          "type": "Completeness",
          "value": 75.500
        }
      ]
    },
    {
      "resolution_limits": [47.15,9.410],
      "number_observations": 2295,
      "number_observations_unique": 352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 46.330
        },
        {
          "type": "Completeness",
          "value": 72.000
        }
      ]
    }
  ]

}
  

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


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