Data quality metrics extracted from 9f46.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": "c3642389119b7f1464ae20ef8ed673ea",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 167.90,
    "b": 167.90,
    "c": 125.38,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.89,2.45],
    "number_observations_unique": 66161,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16399999999999998
      },
      {
        "type": "R(meas)",
        "value": 0.16699999999999998
      },
      {
        "type": "I/SigI",
        "value": 12.72
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 26.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.51,2.45],
      "number_observations_unique": 4823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.03
        },
        {
          "type": "R(meas)",
          "value": 2.069
        },
        {
          "type": "CC(1/2)",
          "value": 0.655
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.51],
      "number_observations_unique": 4717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.749
        },
        {
          "type": "R(meas)",
          "value": 1.784
        },
        {
          "type": "CC(1/2)",
          "value": 0.72
        }
      ]
    },
    {
      "resolution_limits": [2.66,2.58],
      "number_observations_unique": 4582,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.443
        },
        {
          "type": "R(meas)",
          "value": 1.473
        },
        {
          "type": "CC(1/2)",
          "value": 0.7929999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.66],
      "number_observations_unique": 4437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.176
        },
        {
          "type": "R(meas)",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.74],
      "number_observations_unique": 4309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.958
        },
        {
          "type": "R(meas)",
          "value": 0.976
        },
        {
          "type": "CC(1/2)",
          "value": 0.9129999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.83],
      "number_observations_unique": 4179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.763
        },
        {
          "type": "R(meas)",
          "value": 0.778
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.93],
      "number_observations_unique": 4036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.625
        },
        {
          "type": "R(meas)",
          "value": 0.637
        },
        {
          "type": "CC(1/2)",
          "value": 0.9590000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.16,3.04],
      "number_observations_unique": 3898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.478
        },
        {
          "type": "R(meas)",
          "value": 0.48700000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [3.3,3.16],
      "number_observations_unique": 3742,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.353
        },
        {
          "type": "R(meas)",
          "value": 0.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.30],
      "number_observations_unique": 3567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27699999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.46],
      "number_observations_unique": 3427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19699999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.201
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.87,3.65],
      "number_observations_unique": 3237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.166
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.87],
      "number_observations_unique": 3051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.47,4.14],
      "number_observations_unique": 2870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10800000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.9,4.47],
      "number_observations_unique": 2616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10099999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.10300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.48,4.90],
      "number_observations_unique": 2409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.10099999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.33,5.48],
      "number_observations_unique": 2133,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [7.75,6.33],
      "number_observations_unique": 1830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [10.96,7.75],
      "number_observations_unique": 1444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [48.89,10.96],
      "number_observations_unique": 854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.890 48.890 2.580
High resolution limit [Å] 2.450 10.960 2.510
R(merge) 0.1640 0.0600 1.7490
R(meas) 0.1670 0.0610 1.7840
CC(1/2) 0.999 0.999 0.720
Completeness [%] 100.0 - -
Multiplicity 26.5 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
48.890-10.960 0.0600 0.0610 0.999
10.960-7.750 0.0640 0.0650 0.999
7.750-6.330 0.0820 0.0840 0.999
6.330-5.480 0.0960 0.0980 0.999
5.480-4.900 0.1000 0.1010 0.998
4.900-4.470 0.1010 0.1030 0.998
4.470-4.140 0.1080 0.1100 0.999
4.140-3.870 0.1320 0.1340 0.998
3.870-3.650 0.1630 0.1660 0.997
3.650-3.460 0.1970 0.2010 0.996
3.460-3.300 0.2770 0.2820 0.993
3.300-3.160 0.3530 0.3600 0.988
3.160-3.040 0.4780 0.4870 0.981
3.040-2.930 0.6250 0.6370 0.959
2.930-2.830 0.7630 0.7780 0.941
2.830-2.740 0.9580 0.9760 0.913
2.740-2.660 1.1760 1.2000 0.861
2.660-2.580 1.4430 1.4730 0.793
2.580-2.510 1.7490 1.7840 0.720
2.510-2.450 2.0300 2.0690 0.655