Data quality metrics extracted from 15ph.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "11e7b0c3f26ecf915e7d4243183d7339",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.723,
    "b": 88.723,
    "c": 39.588,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.77488],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.360,0.970],
    "number_observations": 1220030,
    "number_observations_unique": 180866,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "R(meas)",
        "value": 0.038
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 18.800
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 6.700
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.990,0.970],
      "number_observations": 58070,
      "number_observations_unique": 8787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.318
        },
        {
          "type": "R(meas)",
          "value": 1.432
        },
        {
          "type": "R(pim)",
          "value": 0.551
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.725
        }
      ]
    },
    {
      "resolution_limits": [44.360,5.310],
      "number_observations": 8059,
      "number_observations_unique": 1194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.021
        },
        {
          "type": "R(pim)",
          "value": 0.008
        },
        {
          "type": "I/SigI",
          "value": 61.900
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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