Data quality metrics extracted from 3vff.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": "9f08709c4ea9fbd8b4885c072d358f70",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.061,
    "b": 96.603,
    "c": 108.555,
    "alpha": 90.00,
    "beta": 107.69,
    "gamma": 90.00
  },
  "wavelengths": [0.91943],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.7770],
    "number_observations_unique": 38850,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.8461,2.7770],
      "number_observations_unique": 2133,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 75
        }
      ]
    },
    {
      "resolution_limits": [2.9230,2.8461],
      "number_observations_unique": 2826,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 1.00
        }
      ]
    },
    {
      "resolution_limits": [3.0090,2.9230],
      "number_observations_unique": 2817,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.1061,3.0090],
      "number_observations_unique": 2831,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.2171,3.1061],
      "number_observations_unique": 2865,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.3459,3.2171],
      "number_observations_unique": 2843,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.4981,3.3459],
      "number_observations_unique": 2816,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.6824,3.4981],
      "number_observations_unique": 2847,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.9131,3.6824],
      "number_observations_unique": 2840,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [4.2150,3.9131],
      "number_observations_unique": 2856,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [4.6389,4.2150],
      "number_observations_unique": 2793,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [5.3093,4.6389],
      "number_observations_unique": 2780,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    },
    {
      "resolution_limits": [6.6862,5.3093],
      "number_observations_unique": 2856,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    },
    {
      "resolution_limits": [47.1676,6.6862],
      "number_observations_unique": 2747,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        }
      ]
    }
  ]

}
  

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


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