Data quality metrics extracted from 4zr6.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": "437771de56d4385249d7e844a45c1ab3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 68.924,
    "b": 78.100,
    "c": 120.502,
    "alpha": 90.00,
    "beta": 102.32,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.007,2.511],
    "number_observations_unique": 41678,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.172
      },
      {
        "type": "I/SigI",
        "value": 25.2
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 5.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.50],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.368
        },
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.54],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.320
        },
        {
          "type": "CC(1/2)",
          "value": 0.866
        }
      ]
    },
    {
      "resolution_limits": [2.64,2.59],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.64],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.292
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.69],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.281
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.75],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.261
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.82],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.253
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.89],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.227
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.96],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.193
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [3.15,3.05],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.180
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.15],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.153
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.26],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.133
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.39],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.115
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.55],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.73],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.091
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [4.27,3.97],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.069
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.70,4.27],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.060
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.38,4.70],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.057
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [6.78,5.38],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.054
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [50.00,6.78],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.007 50.000 2.590
High resolution limit [Å] 2.511 6.780 2.540
R(merge) 0.1720 - -
R(pim) - 0.0360 0.3200
CC(1/2) - 0.995 0.866
Completeness [%] 100.0 - -
Multiplicity 5.2 - -


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

Resolution [Å] R(pim) CC(1/2)
50.000-6.780 0.0360 0.995
6.780-5.380 0.0540 0.989
5.380-4.700 0.0570 0.987
4.700-4.270 0.0600 0.988
4.270-3.970 0.0690 0.981
3.970-3.730 0.0910 0.978
3.730-3.550 0.1050 0.978
3.550-3.390 0.1150 0.975
3.390-3.260 0.1330 0.979
3.260-3.150 0.1530 0.959
3.150-3.050 0.1800 0.963
3.050-2.960 0.1930 0.968
2.960-2.890 0.2270 0.962
2.890-2.820 0.2530 0.941
2.820-2.750 0.2610 0.931
2.750-2.690 0.2810 0.937
2.690-2.640 0.2920 0.929
2.640-2.590 0.3180 0.894
2.590-2.540 0.3200 0.866
2.540-2.500 0.3680 0.819