Data quality metrics extracted from 7h1a.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": "57ad00af5b6e0980ccc63221aa80f284",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.367,
    "b": 32.992,
    "c": 125.521,
    "alpha": 90.00,
    "beta": 96.91,
    "gamma": 90.00
  },
  "wavelengths": [0.92120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [124.59,1.15],
    "number_observations": 443656,
    "number_observations_unique": 79881,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(meas)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 24.3
      },
      {
        "type": "Completeness",
        "value": 71.8
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.17,1.15],
      "number_observations": 345,
      "number_observations_unique": 336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.302
        },
        {
          "type": "R(meas)",
          "value": 0.427
        },
        {
          "type": "R(pim)",
          "value": 0.302
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 1.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.593
        }
      ]
    }
  ]

}
  

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


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