Data quality metrics extracted from 9mis.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": "0c3f0c87b6c120549ec05f1067676b3f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 176.491,
    "b": 50.821,
    "c": 193.139,
    "alpha": 90.00,
    "beta": 111.94,
    "gamma": 90.00
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.89,1.59],
    "number_observations": 2933246,
    "number_observations_unique": 428168,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.135
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.59],
      "number_observations": 222566,
      "number_observations_unique": 31456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.210
        },
        {
          "type": "R(meas)",
          "value": 1.306
        },
        {
          "type": "R(pim)",
          "value": 0.487
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.581
        }
      ]
    }
  ]

}
  

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


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