Data quality metrics extracted from 4ny0.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": "356f4e6349ee5f2f9d53447382d6066f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.96,
    "b": 152.50,
    "c": 95.34,
    "alpha": 90.00,
    "beta": 93.62,
    "gamma": 90.00
  },
  "wavelengths": [1.11587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.15,2.8],
    "number_observations_unique": 49012,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "Redundancy",
        "value": 2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.93,2.8],
      "number_observations_unique": 4968,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.651
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 79.5
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.93],
      "number_observations_unique": 6116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [3.27,3.08],
      "number_observations_unique": 6315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.27],
      "number_observations_unique": 6285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.53],
      "number_observations_unique": 6283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 10.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [4.44,3.88],
      "number_observations_unique": 6340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 16
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [5.6,4.44],
      "number_observations_unique": 6327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 19.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    },
    {
      "resolution_limits": [95.15,5.6],
      "number_observations_unique": 6378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 22.2
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    }
  ]

}
  

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


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