Data quality metrics extracted from 9h6j.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": "3bc8eee0b070641b38a34f841f148b2a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.463,
    "b": 136.486,
    "c": 87.427,
    "alpha": 90.000,
    "beta": 96.076,
    "gamma": 90.000
  },
  "wavelengths": [0.61990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [136.49,2.94],
    "number_observations_unique": 30064,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [136.49,9.30],
      "number_observations_unique": 987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 45.0
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.94],
      "number_observations_unique": 4363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.610
        },
        {
          "type": "R(meas)",
          "value": 1.890
        },
        {
          "type": "R(pim)",
          "value": 0.983
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.521
        }
      ]
    }
  ]

}
  

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


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