Data quality metrics extracted from 9ueh.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": "3778281e8b9259ec448d510ba24af3a5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.513,
    "b": 105.474,
    "c": 94.144,
    "alpha": 90.0,
    "beta": 108.4,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.756],
    "number_observations_unique": 106244,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.5333
      },
      {
        "type": "R(meas)",
        "value": 0.5837
      },
      {
        "type": "R(pim)",
        "value": 0.2331
      },
      {
        "type": "I/SigI",
        "value": 9.38
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 6.44
      },
      {
        "type": "CC(1/2)",
        "value": 0.5819
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,7.76],
      "number_observations_unique": 1263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0566
        },
        {
          "type": "CC(1/2)",
          "value": 0.9966
        }
      ]
    },
    {
      "resolution_limits": [7.76,5.52],
      "number_observations_unique": 2248,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0814
        },
        {
          "type": "CC(1/2)",
          "value": 0.9944
        }
      ]
    },
    {
      "resolution_limits": [5.52,4.52],
      "number_observations_unique": 2799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0705
        },
        {
          "type": "CC(1/2)",
          "value": 0.9962
        }
      ]
    },
    {
      "resolution_limits": [4.52,3.92],
      "number_observations_unique": 3349,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0779
        },
        {
          "type": "CC(1/2)",
          "value": 0.9958
        }
      ]
    },
    {
      "resolution_limits": [3.92,3.51],
      "number_observations_unique": 3867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0941
        },
        {
          "type": "CC(1/2)",
          "value": 0.9932
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.20],
      "number_observations_unique": 4195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1179
        },
        {
          "type": "CC(1/2)",
          "value": 0.9899
        }
      ]
    },
    {
      "resolution_limits": [3.20,2.97],
      "number_observations_unique": 4499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1494
        },
        {
          "type": "CC(1/2)",
          "value": 0.9809
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.77],
      "number_observations_unique": 4878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4016
        },
        {
          "type": "CC(1/2)",
          "value": 0.9455
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.62],
      "number_observations_unique": 5236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3481
        },
        {
          "type": "CC(1/2)",
          "value": 0.9189
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.48],
      "number_observations_unique": 5536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2808
        },
        {
          "type": "CC(1/2)",
          "value": 0.9525
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.37],
      "number_observations_unique": 5700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3037
        },
        {
          "type": "CC(1/2)",
          "value": 0.9258
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.27],
      "number_observations_unique": 6044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3898
        },
        {
          "type": "CC(1/2)",
          "value": 0.8925
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.18],
      "number_observations_unique": 6280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5115
        },
        {
          "type": "CC(1/2)",
          "value": 0.8339
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.10],
      "number_observations_unique": 6580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5225
        },
        {
          "type": "CC(1/2)",
          "value": 0.8340
        }
      ]
    },
    {
      "resolution_limits": [2.10,2.03],
      "number_observations_unique": 6796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5923
        },
        {
          "type": "CC(1/2)",
          "value": 0.7927
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.96],
      "number_observations_unique": 6884,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.2991
        },
        {
          "type": "CC(1/2)",
          "value": 0.1287
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.90],
      "number_observations_unique": 7227,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9475
        },
        {
          "type": "CC(1/2)",
          "value": 0.5224
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.85],
      "number_observations_unique": 7438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3824
        },
        {
          "type": "CC(1/2)",
          "value": 0.4025
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.80],
      "number_observations_unique": 7632,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3807
        },
        {
          "type": "CC(1/2)",
          "value": 0.3449
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.76],
      "number_observations_unique": 7793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.1760
        },
        {
          "type": "CC(1/2)",
          "value": 0.0055
        }
      ]
    }
  ]

}
  

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


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