Data quality metrics extracted from 7zm3.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": "28a22385c31ca489756bf6d65118dd42",
  "space_group_name": "P 2 2 21",
  "unit_cell": {
    "a": 76.958,
    "b": 87.404,
    "c": 106.128,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.360,1.810],
    "number_observations_unique": 66020,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.118
      },
      {
        "type": "R(meas)",
        "value": 0.122
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 16.500
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 13.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.850,1.810],
      "number_observations": 45791,
      "number_observations_unique": 3704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.390
        },
        {
          "type": "R(meas)",
          "value": 1.449
        },
        {
          "type": "R(pim)",
          "value": 0.404
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    },
    {
      "resolution_limits": [45.360,9.040],
      "number_observations": 6947,
      "number_observations_unique": 621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 50.100
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 11.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 45.360 45.360
High resolution limit [Å] 1.810 9.040
R(merge) 0.1180 0.0340
R(meas) 0.1220 0.0360
R(pim) 0.0330 0.0100
CC(1/2) 0.999 0.999
Completeness [%] 99.8 99.2
Multiplicity 13.4 11.2


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
45.360-9.040 0.0340 0.0360 0.0100 0.999 99.2 11.2
1.850-1.810 1.3900 1.4490 0.4040 0.638 96.0 12.4