Data quality metrics extracted from 9vya.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "ec435a744ad39980b088ec48598f72c6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 71.54,
    "b": 40.56,
    "c": 56.02,
    "alpha": 90.00,
    "beta": 112.53,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.74,1.41],
    "number_observations_unique": 28608,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.145
      },
      {
        "type": "R(pim)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 14.800
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.41],
      "number_observations_unique": 2101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(meas)",
          "value": 0.272
        },
        {
          "type": "R(pim)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.617
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.45],
      "number_observations_unique": 2029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.49],
      "number_observations_unique": 2025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.324
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.53],
      "number_observations_unique": 1935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.347
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.57],
      "number_observations_unique": 1902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.63],
      "number_observations_unique": 1828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.402
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.69],
      "number_observations_unique": 1728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        }
      ]
    },
    {
      "resolution_limits": [1.81,1.75],
      "number_observations_unique": 1689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.81],
      "number_observations_unique": 1609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.90],
      "number_observations_unique": 1566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        }
      ]
    },
    {
      "resolution_limits": [2.10,2.00],
      "number_observations_unique": 1462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.10],
      "number_observations_unique": 1416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.22],
      "number_observations_unique": 1321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        }
      ]
    },
    {
      "resolution_limits": [2.56,2.38],
      "number_observations_unique": 1242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.56],
      "number_observations_unique": 1109,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.82],
      "number_observations_unique": 1046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.12],
      "number_observations_unique": 909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        }
      ]
    },
    {
      "resolution_limits": [4.36,3.62],
      "number_observations_unique": 754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        }
      ]
    },
    {
      "resolution_limits": [5.94,4.36],
      "number_observations_unique": 602,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        }
      ]
    },
    {
      "resolution_limits": [51.74,5.94],
      "number_observations_unique": 335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        }
      ]
    }
  ]

}
  

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


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