Data quality metrics extracted from 4h3b.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": "e7abc893b61aaf5bd4a2b8bdbdadaf70",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 84.52,
    "b": 84.52,
    "c": 127.25,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.17000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.196,1.721],
    "number_observations_unique": 73519,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 33.2
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 5.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.721],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 55.2
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 59.6
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 62.6
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 69.4
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 76.2
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82.1
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.3
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.22],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.7
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.4
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.2
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [3.37,2.94],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    },
    {
      "resolution_limits": [4.24,3.37],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [36.71,4.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    }
  ]

}
  

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


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