Data quality metrics extracted from 5ki9.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": "c902d69cc4cb0099eed1c7c42385640b",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 41.704,
    "b": 41.704,
    "c": 52.945,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.550],
    "number_observations": 116371,
    "number_observations_unique": 6994,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.060
      },
      {
        "type": "R(pim)",
        "value": 0.014
      },
      {
        "type": "I/SigI",
        "value": 16.700
      },
      {
        "type": "Completeness",
        "value": 95.600
      },
      {
        "type": "Redundancy",
        "value": 16.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.580,1.550],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.865
        },
        {
          "type": "Completeness",
          "value": 8.000
        },
        {
          "type": "Redundancy",
          "value": 7.300
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.580],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.703
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.700
        }
      ]
    },
    {
      "resolution_limits": [1.640,1.610],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.509
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.640],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.426
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.200
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.670],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.600
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.710],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.200
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.750],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.500
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.790],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.300
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.840],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.890],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.950],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.300
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.020],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.200
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.100],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.600
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.200],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.800
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.320],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.800
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.600
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.650],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.200
        }
      ]
    },
    {
      "resolution_limits": [3.340,2.920],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.900
        }
      ]
    },
    {
      "resolution_limits": [4.210,3.340],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.600
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.210],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.600
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 1.610
High resolution limit [Å] 1.550 4.210 1.580
R(merge) 0.0590 0.0410 0.7030
R(meas) 0.0600 - -
R(pim) 0.0140 - -
Completeness [%] 95.6 100.0 100.0
Multiplicity 16.6 15.6 11.7


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-4.210 0.0410 100.0 15.6
4.210-3.340 0.0490 100.0 21.6
3.340-2.920 0.0620 100.0 23.9
2.920-2.650 0.0880 100.0 25.2
2.650-2.460 0.1130 100.0 25.6
2.460-2.320 0.1350 100.0 25.8
2.320-2.200 0.2000 100.0 25.8
2.200-2.100 0.1770 100.0 16.6
2.100-2.020 0.0700 100.0 12.2
2.020-1.950 0.0830 100.0 12.3
1.950-1.890 0.0940 100.0 12.4
1.890-1.840 0.1190 100.0 12.4
1.840-1.790 0.1500 100.0 12.3
1.790-1.750 0.1970 100.0 12.5
1.750-1.710 0.2740 100.0 12.2
1.710-1.670 0.3190 100.0 12.6
1.670-1.640 0.4260 100.0 12.2
1.640-1.610 0.5090 100.0 12.4
1.610-1.580 0.7030 100.0 11.7
1.580-1.550 0.8650 8.0 7.3