Data quality metrics extracted from 1vka.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": "d3012ce8bebe31c71eb58cc1bbe9cfe0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.951,
    "b": 47.582,
    "c": 100.690,
    "alpha": 90.000,
    "beta": 91.741,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.60],
    "number_observations_unique": 37287,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 26.2
      },
      {
        "type": "Completeness",
        "value": 98.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        }
      ]
    },
    {
      "resolution_limits": [50.00,3.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        }
      ]
    },
    {
      "resolution_limits": [3.45,2.74],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.39],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.72],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        }
      ]
    }
  ]

}
  

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


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