Data quality metrics extracted from 4kz9.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": "09f6e1f0f2646a30606ade18382eef46",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 118.58,
    "b": 76.42,
    "c": 97.50,
    "alpha": 90.0,
    "beta": 115.7,
    "gamma": 90.0
  },
  "wavelengths": [1.11587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.518,1.720],
    "number_observations_unique": 80298,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 16.75
      },
      {
        "type": "Completeness",
        "value": 96.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.760,1.720],
      "number_observations": 18764,
      "number_observations_unique": 5834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 2.570
        },
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.760],
      "number_observations": 18302,
      "number_observations_unique": 5673,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        },
        {
          "type": "I/SigI",
          "value": 3.270
        },
        {
          "type": "Completeness",
          "value": 95.1
        }
      ]
    },
    {
      "resolution_limits": [1.870,1.810],
      "number_observations": 17909,
      "number_observations_unique": 5547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "I/SigI",
          "value": 3.860
        },
        {
          "type": "Completeness",
          "value": 95.2
        }
      ]
    },
    {
      "resolution_limits": [1.920,1.870],
      "number_observations": 16801,
      "number_observations_unique": 5308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "I/SigI",
          "value": 5.340
        },
        {
          "type": "Completeness",
          "value": 94.5
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.920],
      "number_observations": 16855,
      "number_observations_unique": 5242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 5.890
        },
        {
          "type": "Completeness",
          "value": 95.3
        }
      ]
    },
    {
      "resolution_limits": [2.060,1.990],
      "number_observations": 16415,
      "number_observations_unique": 5090,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 8.210
        },
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.060],
      "number_observations": 15865,
      "number_observations_unique": 4948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 10.290
        },
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.130],
      "number_observations": 15083,
      "number_observations_unique": 4726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 11.340
        },
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.220],
      "number_observations": 13736,
      "number_observations_unique": 4496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 13.820
        },
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.320],
      "number_observations": 14197,
      "number_observations_unique": 4423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 15.830
        },
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.430],
      "number_observations": 13321,
      "number_observations_unique": 4162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 18.170
        },
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.560],
      "number_observations": 12767,
      "number_observations_unique": 3995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 20.050
        },
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.720],
      "number_observations": 11892,
      "number_observations_unique": 3730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 24.190
        },
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [3.140,2.910],
      "number_observations": 11086,
      "number_observations_unique": 3503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 30.330
        },
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.140],
      "number_observations": 10099,
      "number_observations_unique": 3218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 36.530
        },
        {
          "type": "Completeness",
          "value": 97.9
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.440],
      "number_observations": 8755,
      "number_observations_unique": 2906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 40.840
        },
        {
          "type": "Completeness",
          "value": 96.9
        }
      ]
    },
    {
      "resolution_limits": [4.440,3.850],
      "number_observations": 8173,
      "number_observations_unique": 2602,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 47.290
        },
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    },
    {
      "resolution_limits": [5.440,4.440],
      "number_observations": 7102,
      "number_observations_unique": 2217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 49.350
        },
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [7.690,5.440],
      "number_observations": 5505,
      "number_observations_unique": 1728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 45.550
        },
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [29.518,7.690],
      "number_observations": 2913,
      "number_observations_unique": 950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 55.300
        },
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.518 29.518 1.810
High resolution limit [Å] 1.720 7.690 1.760
R(merge) 0.0580 0.0190 0.3920
Completeness [%] 96.3 96.1 95.1


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

Resolution [Å] R(merge) Completeness [%]
29.518-7.690 0.0190 96.1
7.690-5.440 0.0210 99.1
5.440-4.440 0.0190 98.6
4.440-3.850 0.0200 98.0
3.850-3.440 0.0240 96.9
3.440-3.140 0.0260 97.9
3.140-2.910 0.0330 97.8
2.910-2.720 0.0440 97.8
2.720-2.560 0.0540 97.5
2.560-2.430 0.0620 97.2
2.430-2.320 0.0750 97.1
2.320-2.220 0.0950 94.8
2.220-2.130 0.1110 96.1
2.130-2.060 0.1190 96.2
2.060-1.990 0.1520 96.1
1.990-1.920 0.2200 95.3
1.920-1.870 0.2590 94.5
1.870-1.810 0.3340 95.2
1.810-1.760 0.3920 95.1
1.760-1.720 0.5040 94.9