Data quality metrics extracted from 6snu.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": "a2c07b735c1d1cb5b95126d328e7a6bd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.221,
    "b": 62.196,
    "c": 118.423,
    "alpha": 75.03,
    "beta": 81.31,
    "gamma": 75.30
  },
  "wavelengths": [1.00964],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.510,1.800],
    "number_observations": 568888,
    "number_observations_unique": 145405,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.180
      },
      {
        "type": "R(meas)",
        "value": 0.208
      },
      {
        "type": "R(pim)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 13.300
      },
      {
        "type": "Completeness",
        "value": 96.500
      },
      {
        "type": "Redundancy",
        "value": 3.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.800],
      "number_observations": 27590,
      "number_observations_unique": 7070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.187
        },
        {
          "type": "R(meas)",
          "value": 1.376
        },
        {
          "type": "R(pim)",
          "value": 0.694
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 95.000
        },
        {
          "type": "Redundancy",
          "value": 3.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.238
        }
      ]
    },
    {
      "resolution_limits": [50.510,9.860],
      "number_observations": 3403,
      "number_observations_unique": 901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 38.400
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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