Data quality metrics extracted from 9m5b.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": "022b38b5f400c5f79614d59b31026dc6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.637,
    "b": 83.360,
    "c": 68.588,
    "alpha": 90.00,
    "beta": 109.97,
    "gamma": 90.00
  },
  "wavelengths": [0.97861],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.42,1.66],
    "number_observations_unique": 72255,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 19.00
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.75
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.66],
      "number_observations_unique": 11574,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.012
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.76],
      "number_observations_unique": 10946,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.561
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.88],
      "number_observations_unique": 10232,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.286
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.03],
      "number_observations_unique": 9373,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.22],
      "number_observations_unique": 8493,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.48],
      "number_observations_unique": 7521,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.51,2.87],
      "number_observations_unique": 6366,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.94,3.51],
      "number_observations_unique": 4958,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [45.42,4.94],
      "number_observations_unique": 2792,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "CC(1/2)",
          "value": 1
        }
      ]
    }
  ]

}
  

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


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