Data quality metrics extracted from 9u8m.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": "3f5d811541adac5e15a17670e0092364",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 74.863,
    "b": 70.410,
    "c": 76.524,
    "alpha": 90.00,
    "beta": 94.46,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.758],
    "number_observations_unique": 39006,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1884
      },
      {
        "type": "I/SigI",
        "value": 10.74
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 6.52
      },
      {
        "type": "CC(1/2)",
        "value": 0.9807
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [50.00,7.75],
      "number_observations_unique": 485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1470
        },
        {
          "type": "CC(1/2)",
          "value": 0.9716
        }
      ]
    },
    {
      "resolution_limits": [7.75,5.52],
      "number_observations_unique": 828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1795
        },
        {
          "type": "CC(1/2)",
          "value": 0.9666
        }
      ]
    },
    {
      "resolution_limits": [5.52,4.52],
      "number_observations_unique": 1045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1642
        },
        {
          "type": "CC(1/2)",
          "value": 0.9667
        }
      ]
    },
    {
      "resolution_limits": [4.52,3.92],
      "number_observations_unique": 1227,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1659
        },
        {
          "type": "CC(1/2)",
          "value": 0.9706
        }
      ]
    },
    {
      "resolution_limits": [3.92,3.51],
      "number_observations_unique": 1415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1769
        },
        {
          "type": "CC(1/2)",
          "value": 0.9663
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.21],
      "number_observations_unique": 1545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1766
        },
        {
          "type": "CC(1/2)",
          "value": 0.9720
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.97],
      "number_observations_unique": 1671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1796
        },
        {
          "type": "CC(1/2)",
          "value": 0.9675
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.78],
      "number_observations_unique": 1798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1999
        },
        {
          "type": "CC(1/2)",
          "value": 0.9532
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.62],
      "number_observations_unique": 1920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2108
        },
        {
          "type": "CC(1/2)",
          "value": 0.9582
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.49],
      "number_observations_unique": 2017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2244
        },
        {
          "type": "CC(1/2)",
          "value": 0.9614
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.37],
      "number_observations_unique": 2092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2308
        },
        {
          "type": "CC(1/2)",
          "value": 0.9499
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.27],
      "number_observations_unique": 2196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2592
        },
        {
          "type": "CC(1/2)",
          "value": 0.9447
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.18],
      "number_observations_unique": 2314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3028
        },
        {
          "type": "CC(1/2)",
          "value": 0.9341
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.10],
      "number_observations_unique": 2408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3295
        },
        {
          "type": "CC(1/2)",
          "value": 0.9319
        }
      ]
    },
    {
      "resolution_limits": [2.10,2.03],
      "number_observations_unique": 2478,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9283
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.97],
      "number_observations_unique": 2537,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.3824
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.91],
      "number_observations_unique": 2618,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.8238
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.85],
      "number_observations_unique": 2752,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.8369
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.80],
      "number_observations_unique": 2817,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.7557
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.76],
      "number_observations_unique": 2843,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.2068
        }
      ]
    }
  ]

}
  

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


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