Data quality metrics extracted from 6pis.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": "1f687af0b0721ca780ebdac2a871ee21",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 72.45,
    "b": 154.51,
    "c": 202.85,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [122.910,2.600],
    "number_observations_unique": 26117,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.483
      },
      {
        "type": "R(meas)",
        "value": 0.502
      },
      {
        "type": "I/SigI",
        "value": 3.490
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 13.384
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.670,2.600],
      "number_observations": 23529,
      "number_observations_unique": 4643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.836
        },
        {
          "type": "R(meas)",
          "value": 8.112
        },
        {
          "type": "I/SigI",
          "value": 0.180
        },
        {
          "type": "Completeness",
          "value": 89.400
        },
        {
          "type": "Redundancy",
          "value": 5.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.184
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.670],
      "number_observations": 43707,
      "number_observations_unique": 4867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.760
        },
        {
          "type": "R(meas)",
          "value": 4.928
        },
        {
          "type": "I/SigI",
          "value": 0.360
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 8.980
        },
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.740],
      "number_observations": 58648,
      "number_observations_unique": 4863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.151
        },
        {
          "type": "R(meas)",
          "value": 3.263
        },
        {
          "type": "I/SigI",
          "value": 0.530
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 12.060
        },
        {
          "type": "CC(1/2)",
          "value": 0.457
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.820],
      "number_observations": 66580,
      "number_observations_unique": 4769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.196
        },
        {
          "type": "R(meas)",
          "value": 2.274
        },
        {
          "type": "I/SigI",
          "value": 0.890
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 13.961
        },
        {
          "type": "CC(1/2)",
          "value": 0.758
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.910],
      "number_observations": 68066,
      "number_observations_unique": 4590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.398
        },
        {
          "type": "R(meas)",
          "value": 1.448
        },
        {
          "type": "I/SigI",
          "value": 1.260
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 14.829
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [3.110,3.000],
      "number_observations": 66600,
      "number_observations_unique": 4461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.935
        },
        {
          "type": "R(meas)",
          "value": 0.968
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 14.929
        },
        {
          "type": "CC(1/2)",
          "value": 0.920
        }
      ]
    },
    {
      "resolution_limits": [3.220,3.110],
      "number_observations": 65139,
      "number_observations_unique": 4347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.577
        },
        {
          "type": "R(meas)",
          "value": 0.598
        },
        {
          "type": "I/SigI",
          "value": 2.550
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 14.985
        },
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.220],
      "number_observations": 62242,
      "number_observations_unique": 4153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "R(meas)",
          "value": 0.390
        },
        {
          "type": "I/SigI",
          "value": 3.530
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 14.987
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.360],
      "number_observations": 59468,
      "number_observations_unique": 3978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "R(meas)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 5.130
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 14.949
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.680,3.500],
      "number_observations": 57459,
      "number_observations_unique": 3846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(meas)",
          "value": 0.300
        },
        {
          "type": "I/SigI",
          "value": 7.230
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 14.940
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.870,3.680],
      "number_observations": 54413,
      "number_observations_unique": 3656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 8.560
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 14.883
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.870],
      "number_observations": 51432,
      "number_observations_unique": 3468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 9.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 14.830
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.390,4.110],
      "number_observations": 48288,
      "number_observations_unique": 3270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 11.040
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 14.767
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.750,4.390],
      "number_observations": 44677,
      "number_observations_unique": 3062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 17.040
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.591
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.200,4.750],
      "number_observations": 41005,
      "number_observations_unique": 2835,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 24.460
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.464
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.810,5.200],
      "number_observations": 36876,
      "number_observations_unique": 2561,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 25.720
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.399
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.710,5.810],
      "number_observations": 32486,
      "number_observations_unique": 2298,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.137
        }
      ]
    },
    {
      "resolution_limits": [8.220,6.710],
      "number_observations": 26607,
      "number_observations_unique": 1957,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.596
        }
      ]
    },
    {
      "resolution_limits": [11.620,8.220],
      "number_observations": 19916,
      "number_observations_unique": 1538,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.949
        }
      ]
    },
    {
      "resolution_limits": [122.910,11.620],
      "number_observations": 10576,
      "number_observations_unique": 900,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 11.751
        }
      ]
    }
  ]

}
  

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


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