Data quality metrics extracted from 4gca.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": "b733465542faef9948216f9a493241b6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.102,
    "b": 47.218,
    "c": 39.953,
    "alpha": 67.83,
    "beta": 76.96,
    "gamma": 76.15
  },
  "wavelengths": [0.90042],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.000,0.900],
    "number_observations_unique": 210640,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 30.6
      },
      {
        "type": "Completeness",
        "value": 92.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.930,0.900],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 70.600
        }
      ]
    },
    {
      "resolution_limits": [0.960,0.930],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.400
        }
      ]
    },
    {
      "resolution_limits": [0.990,0.960],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.900
        }
      ]
    },
    {
      "resolution_limits": [1.030,0.990],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.300
        }
      ]
    },
    {
      "resolution_limits": [1.080,1.030],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.900
        }
      ]
    },
    {
      "resolution_limits": [1.130,1.080],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.300
        }
      ]
    },
    {
      "resolution_limits": [1.200,1.130],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.200],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.400
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.300],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [1.630,1.430],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.200
        }
      ]
    },
    {
      "resolution_limits": [2.060,1.630],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.600
        }
      ]
    },
    {
      "resolution_limits": [15.000,2.060],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    }
  ]

}
  

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


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