Data quality metrics extracted from 12tb.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": "5b152bb1edd21308fb9d7574625321b1",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 78.910,
    "b": 38.900,
    "c": 84.063,
    "alpha": 90.000,
    "beta": 115.237,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.59,1.50],
    "number_observations_unique": 38444,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.025
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 21
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [43.59,9.36],
      "number_observations_unique": 455,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [9.36,5.40],
      "number_observations_unique": 824,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 1.00
        }
      ]
    },
    {
      "resolution_limits": [5.40,4.19],
      "number_observations_unique": 1048,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.19,3.54],
      "number_observations_unique": 1224,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.54,3.12],
      "number_observations_unique": 1388,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.82],
      "number_observations_unique": 1535,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.60],
      "number_observations_unique": 1638,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.42],
      "number_observations_unique": 1792,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.27],
      "number_observations_unique": 1859,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.15],
      "number_observations_unique": 1982,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.04],
      "number_observations_unique": 2122,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.95],
      "number_observations_unique": 2164,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.87],
      "number_observations_unique": 2277,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.80],
      "number_observations_unique": 2367,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.74],
      "number_observations_unique": 2471,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.68],
      "number_observations_unique": 2538,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.63],
      "number_observations_unique": 2648,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.58],
      "number_observations_unique": 2648,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.54],
      "number_observations_unique": 2741,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.885
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.50],
      "number_observations_unique": 2700,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.778
        }
      ]
    }
  ]

}
  

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


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