Data quality metrics extracted from 6b2b.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": "6aa1ccda20e01f357aa316382e8af84c",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 86.986,
    "b": 86.986,
    "c": 141.430,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99988],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.140,2.600],
    "number_observations": 415917,
    "number_observations_unique": 32347,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "R(meas)",
        "value": 0.107
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 15.000
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 12.900
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.720,2.600],
      "number_observations": 52171,
      "number_observations_unique": 3944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.907
        },
        {
          "type": "R(meas)",
          "value": 1.984
        },
        {
          "type": "R(pim)",
          "value": 0.546
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.662
        }
      ]
    },
    {
      "resolution_limits": [47.140,9.010],
      "number_observations": 9784,
      "number_observations_unique": 798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 56.800
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 12.300
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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