Data quality metrics extracted from 7w5n.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": "360395db43ed1acb7d504b388000708e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.242,
    "b": 118.817,
    "c": 109.020,
    "alpha": 90.00,
    "beta": 93.32,
    "gamma": 90.00
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.516,2.988],
    "number_observations_unique": 41320,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.313
      },
      {
        "type": "I/SigI",
        "value": 9.88
      },
      {
        "type": "Completeness",
        "value": 99.180
      },
      {
        "type": "Redundancy",
        "value": 8.860
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.096,2.989],
      "number_observations_unique": 41320,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.446
        }
      ]
    },
    {
      "resolution_limits": [3.220,3.096],
      "number_observations_unique": 37437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        }
      ]
    },
    {
      "resolution_limits": [3.366,3.220],
      "number_observations_unique": 33276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        }
      ]
    },
    {
      "resolution_limits": [3.543,3.366],
      "number_observations_unique": 29158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        }
      ]
    },
    {
      "resolution_limits": [3.764,3.543],
      "number_observations_unique": 25039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        }
      ]
    },
    {
      "resolution_limits": [4.053,3.764],
      "number_observations_unique": 20876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        }
      ]
    },
    {
      "resolution_limits": [4.458,4.053],
      "number_observations_unique": 16746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.294
        }
      ]
    },
    {
      "resolution_limits": [5.098,4.458],
      "number_observations_unique": 12569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        }
      ]
    },
    {
      "resolution_limits": [6.401,5.098],
      "number_observations_unique": 8423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        }
      ]
    },
    {
      "resolution_limits": [23.5,6.401],
      "number_observations_unique": 4247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.251
        }
      ]
    }
  ]

}
  

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


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