Data quality metrics extracted from 8ie2.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": "348d6d2994fc434f806e43b3a183c3fd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 155.14,
    "b": 163.17,
    "c": 155.28,
    "alpha": 90.00,
    "beta": 119.81,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.6],
    "number_observations_unique": 46387,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.258
      },
      {
        "type": "R(meas)",
        "value": 0.27899999999999997
      },
      {
        "type": "I/SigI",
        "value": 6.82
      },
      {
        "type": "Completeness",
        "value": 59.5
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.9890000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.69,3.60],
      "number_observations_unique": 691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6779999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.735
        },
        {
          "type": "CC(1/2)",
          "value": 0.746
        }
      ]
    },
    {
      "resolution_limits": [3.8,3.69],
      "number_observations_unique": 1180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.688
        },
        {
          "type": "R(meas)",
          "value": 0.743
        },
        {
          "type": "CC(1/2)",
          "value": 0.7390000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.91,3.80],
      "number_observations_unique": 1515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.645
        },
        {
          "type": "R(meas)",
          "value": 0.6970000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.828
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.91],
      "number_observations_unique": 1784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.605
        },
        {
          "type": "R(meas)",
          "value": 0.654
        },
        {
          "type": "CC(1/2)",
          "value": 0.851
        }
      ]
    },
    {
      "resolution_limits": [4.16,4.03],
      "number_observations_unique": 2031,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.56
        },
        {
          "type": "R(meas)",
          "value": 0.605
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [4.3,4.16],
      "number_observations_unique": 2307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.501
        },
        {
          "type": "R(meas)",
          "value": 0.541
        },
        {
          "type": "CC(1/2)",
          "value": 0.92
        }
      ]
    },
    {
      "resolution_limits": [4.47,4.30],
      "number_observations_unique": 2466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42200000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.457
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [4.65,4.47],
      "number_observations_unique": 2667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.39299999999999996
        },
        {
          "type": "R(meas)",
          "value": 0.426
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [4.85,4.65],
      "number_observations_unique": 2869,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.40299999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.43700000000000006
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [5.09,4.85],
      "number_observations_unique": 2962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "R(meas)",
          "value": 0.46799999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.93
        }
      ]
    },
    {
      "resolution_limits": [5.37,5.09],
      "number_observations_unique": 3176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.465
        },
        {
          "type": "R(meas)",
          "value": 0.503
        },
        {
          "type": "CC(1/2)",
          "value": 0.93
        }
      ]
    },
    {
      "resolution_limits": [5.69,5.37],
      "number_observations_unique": 3241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.525
        },
        {
          "type": "R(meas)",
          "value": 0.564
        },
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    },
    {
      "resolution_limits": [6.09,5.69],
      "number_observations_unique": 3450,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "R(meas)",
          "value": 0.5670000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    },
    {
      "resolution_limits": [6.57,6.09],
      "number_observations_unique": 3334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45399999999999996
        },
        {
          "type": "R(meas)",
          "value": 0.488
        },
        {
          "type": "CC(1/2)",
          "value": 0.934
        }
      ]
    },
    {
      "resolution_limits": [7.2,6.57],
      "number_observations_unique": 3022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.298
        },
        {
          "type": "R(meas)",
          "value": 0.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [8.05,7.20],
      "number_observations_unique": 2786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.179
        },
        {
          "type": "CC(1/2)",
          "value": 0.9890000000000001
        }
      ]
    },
    {
      "resolution_limits": [9.3,8.05],
      "number_observations_unique": 2435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [11.39,9.30],
      "number_observations_unique": 2052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [16.1,11.39],
      "number_observations_unique": 1600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [50,16.10],
      "number_observations_unique": 819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.800
High resolution limit [Å] 3.600 16.100 3.690
R(merge) 0.2580 0.0620 0.6880
R(meas) 0.2790 0.0680 0.7430
CC(1/2) 0.989 0.997 0.739
Completeness [%] 59.5 - -
Multiplicity 6.8 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
50.000-16.100 0.0620 0.0680 0.997
16.100-11.390 0.0630 0.0680 0.997
11.390-9.300 0.0660 0.0730 0.996
9.300-8.050 0.0990 0.1070 0.994
8.050-7.200 0.1660 0.1790 0.989
7.200-6.570 0.2980 0.3200 0.965
6.570-6.090 0.4540 0.4880 0.934
6.090-5.690 0.5270 0.5670 0.917
5.690-5.370 0.5250 0.5640 0.915
5.370-5.090 0.4650 0.5030 0.930
5.090-4.850 0.4290 0.4680 0.930
4.850-4.650 0.4030 0.4370 0.940
4.650-4.470 0.3930 0.4260 0.943
4.470-4.300 0.4220 0.4570 0.940
4.300-4.160 0.5010 0.5410 0.920
4.160-4.030 0.5600 0.6050 0.883
4.030-3.910 0.6050 0.6540 0.851
3.910-3.800 0.6450 0.6970 0.828
3.800-3.690 0.6880 0.7430 0.739
3.690-3.600 0.6780 0.7350 0.746