Data quality metrics extracted from 8ph1.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": "b8c017fafe491289091e0be496f5e4fd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.47,
    "b": 67.82,
    "c": 40.18,
    "alpha": 90.00,
    "beta": 93.62,
    "gamma": 90.00
  },
  "wavelengths": [0.81532],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.06,1.33],
    "number_observations_unique": 48336,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "R(meas)",
        "value": 0.051
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 16.0
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.36,1.33],
      "number_observations_unique": 3544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.687
        },
        {
          "type": "R(pim)",
          "value": 0.290
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.820
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 34.060 1.360
High resolution limit [Å] 1.330 1.330
R(merge) 0.0460 0.6870
R(meas) 0.0510 -
R(pim) 0.0200 0.2900
CC(1/2) 1.000 0.820
Completeness [%] 99.7 99.3
Multiplicity 5.9 6.4


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
1.360-1.330 0.6870 0.2900 0.820 99.3 6.4