Data quality metrics extracted from 4hhp.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": "f8e982c964a08f2c35e58f75b8089405",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.716,
    "b": 44.461,
    "c": 69.043,
    "alpha": 95.02,
    "beta": 96.08,
    "gamma": 114.69
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.875,1.50],
    "number_observations_unique": 62998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "Completeness",
        "value": 95.56
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.5],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.39
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.3
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    },
    {
      "resolution_limits": [2.10,1.94],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.9
        }
      ]
    },
    {
      "resolution_limits": [1.6590,1.6277],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        }
      ]
    }
  ]

}
  

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


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