Data quality metrics extracted from 6p5t.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": "295d6b342e3448c9353f5bcabcea3161",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 210.729,
    "b": 80.564,
    "c": 221.833,
    "alpha": 90.00,
    "beta": 117.44,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.300,2.100],
    "number_observations": 2446368,
    "number_observations_unique": 384732,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.229
      },
      {
        "type": "R(meas)",
        "value": 0.250
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 8.100
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.140,2.100],
      "number_observations": 100730,
      "number_observations_unique": 18372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.834
        },
        {
          "type": "R(meas)",
          "value": 2.025
        },
        {
          "type": "R(pim)",
          "value": 0.839
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 5.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.618
        }
      ]
    },
    {
      "resolution_limits": [49.300,11.500],
      "number_observations": 14506,
      "number_observations_unique": 2492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 29.800
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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