Data quality metrics extracted from 8dsi.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": "1ed76ed7ba877d45242dcd34ce2dc98d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.816,
    "b": 106.625,
    "c": 83.030,
    "alpha": 90.0,
    "beta": 96.7,
    "gamma": 90.0
  },
  "wavelengths": [0.97870],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.891,1.430],
    "number_observations_unique": 191396,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "R(meas)",
        "value": 0.065
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 11.800
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.450,1.430],
      "number_observations": 13022,
      "number_observations_unique": 7807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.850
        },
        {
          "type": "R(meas)",
          "value": 1.177
        },
        {
          "type": "R(pim)",
          "value": 0.811
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 81.700
        },
        {
          "type": "Redundancy",
          "value": 1.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.374
        }
      ]
    },
    {
      "resolution_limits": [19.890,7.830],
      "number_observations": 4184,
      "number_observations_unique": 1155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 39.100
        },
        {
          "type": "Completeness",
          "value": 94.000
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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