Data quality metrics extracted from 4h39.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": "779fb2858fb5eeeab527875ee219963f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 63.206,
    "b": 83.711,
    "c": 83.917,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.17000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.510,1.992],
    "number_observations_unique": 29642,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 49.3
      },
      {
        "type": "Completeness",
        "value": 95.3
      },
      {
        "type": "Redundancy",
        "value": 7.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,1.992],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81.9
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.3
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.9
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.21],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 44.2
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.28],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.0
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.4
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.7
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.57],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.87],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [3.41,3.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [3.90,3.41],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81.9
        }
      ]
    },
    {
      "resolution_limits": [4.91,3.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [37.52,4.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    }
  ]

}
  

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


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