Data quality metrics extracted from 3hn3.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": "5b3c8e4a5e4bfa15e6ac183150846982",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 93.578,
    "b": 123.115,
    "c": 266.135,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.670],
    "number_observations_unique": 316019,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 11.182
      },
      {
        "type": "Completeness",
        "value": 88.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.67],
      "number_observations_unique": 26041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.488
        },
        {
          "type": "Completeness",
          "value": 73.60
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.73],
      "number_observations_unique": 27282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.366
        },
        {
          "type": "Completeness",
          "value": 76.80
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.80],
      "number_observations_unique": 28506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.297
        },
        {
          "type": "Completeness",
          "value": 80.30
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.88],
      "number_observations_unique": 29898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "Completeness",
          "value": 84.10
        }
      ]
    },
    {
      "resolution_limits": [2.10,1.98],
      "number_observations_unique": 31176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "Completeness",
          "value": 87.60
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.10],
      "number_observations_unique": 32314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "Completeness",
          "value": 90.60
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.27],
      "number_observations_unique": 33621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "Completeness",
          "value": 94.10
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.49],
      "number_observations_unique": 34549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "Completeness",
          "value": 96.40
        }
      ]
    },
    {
      "resolution_limits": [3.59,2.85],
      "number_observations_unique": 35810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "Completeness",
          "value": 99.40
        }
      ]
    },
    {
      "resolution_limits": [20.00,3.59],
      "number_observations_unique": 36822,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    }
  ]

}
  

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


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