Data quality metrics extracted from 4h3w.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": "dbec275b192b03217a9a1841c3b8026c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.746,
    "b": 65.323,
    "c": 78.756,
    "alpha": 91.64,
    "beta": 92.35,
    "gamma": 104.50
  },
  "wavelengths": [0.97885],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.317,1.87],
    "number_observations_unique": 53817,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 11.400
      },
      {
        "type": "Completeness",
        "value": 87.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.940,1.870],
      "number_observations": 13764,
      "number_observations_unique": 3971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.570
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 61.500
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.940],
      "number_observations": 18617,
      "number_observations_unique": 5095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 91.800
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.010],
      "number_observations": 22778,
      "number_observations_unique": 6262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 93.000
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.110],
      "number_observations": 20391,
      "number_observations_unique": 5569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 92.000
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.220],
      "number_observations": 20208,
      "number_observations_unique": 5563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 90.100
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.360],
      "number_observations": 21096,
      "number_observations_unique": 5706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 9.1
        },
        {
          "type": "Completeness",
          "value": 93.500
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.540],
      "number_observations": 19498,
      "number_observations_unique": 5339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 12.2
        },
        {
          "type": "Completeness",
          "value": 88.100
        }
      ]
    },
    {
      "resolution_limits": [3.190,2.790],
      "number_observations": 20446,
      "number_observations_unique": 5572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 18.5
        },
        {
          "type": "Completeness",
          "value": 90.500
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.190],
      "number_observations": 19209,
      "number_observations_unique": 5284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 24.5
        },
        {
          "type": "Completeness",
          "value": 85.300
        }
      ]
    },
    {
      "resolution_limits": [48.317,4.020],
      "number_observations": 19668,
      "number_observations_unique": 5456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 28.4
        },
        {
          "type": "Completeness",
          "value": 87.700
        }
      ]
    }
  ]

}
  

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


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