Data quality metrics extracted from 9vy5.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": "bbecb9ff5f00dcb2155bb5ca7ca09248",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 71.598,
    "b": 120.081,
    "c": 36.251,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.28,1.55],
    "number_observations_unique": 46026,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.190
      },
      {
        "type": "R(meas)",
        "value": 0.207
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 11.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [36.28,6.53],
      "number_observations_unique": 618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        }
      ]
    },
    {
      "resolution_limits": [6.53,4.79],
      "number_observations_unique": 1037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        }
      ]
    },
    {
      "resolution_limits": [4.79,3.97],
      "number_observations_unique": 1275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.45],
      "number_observations_unique": 1516,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.09],
      "number_observations_unique": 1686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.83],
      "number_observations_unique": 1862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.61],
      "number_observations_unique": 2001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.45],
      "number_observations_unique": 2141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.31],
      "number_observations_unique": 2277,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.19],
      "number_observations_unique": 2406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.08],
      "number_observations_unique": 2514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.00],
      "number_observations_unique": 2609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.92],
      "number_observations_unique": 2733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.85],
      "number_observations_unique": 2859,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.79],
      "number_observations_unique": 2901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.73],
      "number_observations_unique": 3022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.68],
      "number_observations_unique": 3145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.481
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.63],
      "number_observations_unique": 3209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.603
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.59],
      "number_observations_unique": 3188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.803
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.55],
      "number_observations_unique": 3027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.866
        }
      ]
    }
  ]

}
  

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


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