Data quality metrics extracted from 7nyt.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": "b51f475a13469ed514e6027be1da4bfc",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 83.540,
    "b": 82.210,
    "c": 110.734,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97996],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.77,1.090],
    "number_observations_unique": 137896,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "R(meas)",
        "value": 0.081
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 13.300
      },
      {
        "type": "Completeness",
        "value": 88.500
      },
      {
        "type": "Redundancy",
        "value": 6.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.130,1.090],
      "number_observations": 16963,
      "number_observations_unique": 6254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.683
        },
        {
          "type": "R(meas)",
          "value": 0.820
        },
        {
          "type": "R(pim)",
          "value": 0.442
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 41.400
        },
        {
          "type": "Redundancy",
          "value": 2.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.700
        }
      ]
    },
    {
      "resolution_limits": [41.770,4.240],
      "number_observations": 18433,
      "number_observations_unique": 2867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 44.200
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 41.770 41.770
High resolution limit [Å] 1.090 4.240
R(merge) 0.0740 0.0350
R(meas) 0.0810 0.0380
R(pim) 0.0320 0.0150
CC(1/2) 0.999 0.999
Completeness [%] 88.5 99.4
Multiplicity 6.1 6.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
41.770-4.240 0.0350 0.0380 0.0150 0.999 99.4 6.4
1.130-1.090 0.6830 0.8200 0.4420 0.700 41.4 2.7