Data quality metrics extracted from 7h1b.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": "5825100fcb4df8f531dff60c1b3b59dc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.909,
    "b": 33.310,
    "c": 60.873,
    "alpha": 90.00,
    "beta": 97.21,
    "gamma": 90.00
  },
  "wavelengths": [0.92120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.88,1.47],
    "number_observations": 167969,
    "number_observations_unique": 26058,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "R(meas)",
        "value": 0.080
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 10.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.47],
      "number_observations": 6211,
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.200
        },
        {
          "type": "R(meas)",
          "value": 2.465
        },
        {
          "type": "R(pim)",
          "value": 1.095
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.396
        }
      ]
    }
  ]

}
  

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


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