Data quality metrics extracted from 3hx8.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": "20870d281713cff354ca02536c15120f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 48.336,
    "b": 55.111,
    "c": 56.862,
    "alpha": 69.02,
    "beta": 76.89,
    "gamma": 64.83
  },
  "wavelengths": [0.91162,0.97929,0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.028,1.45],
    "number_observations_unique": 83844,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 9.050
      },
      {
        "type": "Completeness",
        "value": 94.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.45],
      "number_observations": 21528,
      "number_observations_unique": 14948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.452
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 87.80
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.50],
      "number_observations": 23931,
      "number_observations_unique": 16581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 93.50
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.56],
      "number_observations": 23553,
      "number_observations_unique": 16331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 93.80
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.63],
      "number_observations": 25176,
      "number_observations_unique": 17440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.72],
      "number_observations": 24479,
      "number_observations_unique": 16982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Completeness",
          "value": 94.70
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations": 23830,
      "number_observations_unique": 16527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 6.9
        },
        {
          "type": "Completeness",
          "value": 95.20
        }
      ]
    },
    {
      "resolution_limits": [2.17,1.97],
      "number_observations": 24374,
      "number_observations_unique": 16921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 10.8
        },
        {
          "type": "Completeness",
          "value": 95.70
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.17],
      "number_observations": 23982,
      "number_observations_unique": 16667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 14.0
        },
        {
          "type": "Completeness",
          "value": 96.30
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.48],
      "number_observations": 24354,
      "number_observations_unique": 16946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 18.5
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [28.028,3.12],
      "number_observations": 24599,
      "number_observations_unique": 17123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 25.5
        },
        {
          "type": "Completeness",
          "value": 96.60
        }
      ]
    }
  ]

}
  

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


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