Data quality metrics extracted from 3h3l.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.2",
  "uuid": "4a333942d2df8b09c8fceaeb01a235a3",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 117.259,
    "b": 117.259,
    "c": 118.068,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91837,0.97905,0.97839],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.311,1.59],
    "number_observations_unique": 107246,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 16.590
      },
      {
        "type": "Completeness",
        "value": 96.600
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [1.65,1.59],
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      "number_observations_unique": 22016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 98.50
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.65],
      "number_observations": 145715,
      "number_observations_unique": 18967,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 98.30
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.71],
      "number_observations": 165731,
      "number_observations_unique": 21445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 98.00
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.79],
      "number_observations": 154635,
      "number_observations_unique": 19888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 97.70
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.88],
      "number_observations": 166248,
      "number_observations_unique": 21241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 8.6
        },
        {
          "type": "Completeness",
          "value": 97.40
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.00],
      "number_observations": 168089,
      "number_observations_unique": 21332,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 14.1
        },
        {
          "type": "Completeness",
          "value": 97.00
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.16],
      "number_observations": 157745,
      "number_observations_unique": 19844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 20.7
        },
        {
          "type": "Completeness",
          "value": 96.40
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.37],
      "number_observations": 167281,
      "number_observations_unique": 20838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 26.6
        },
        {
          "type": "Completeness",
          "value": 95.80
        }
      ]
    },
    {
      "resolution_limits": [3.42,2.72],
      "number_observations": 160939,
      "number_observations_unique": 19945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 37.1
        },
        {
          "type": "Completeness",
          "value": 94.70
        }
      ]
    },
    {
      "resolution_limits": [29.311,3.42],
      "number_observations": 160882,
      "number_observations_unique": 19770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 48.3
        },
        {
          "type": "Completeness",
          "value": 92.30
        }
      ]
    }
  ]

}
  

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


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