Data quality metrics extracted from 8a1q.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": "7dd2d1cddcab8ac46605bb1c2c760879",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 62.262,
    "b": 69.258,
    "c": 64.106,
    "alpha": 90.00,
    "beta": 102.38,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.26,2.06],
    "number_observations_unique": 33086,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 19.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 45.99
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.06],
      "number_observations_unique": 1647,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 4.606
        },
        {
          "type": "R(pim)",
          "value": 0.726
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.603
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.10],
      "number_observations_unique": 1646,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 8.076
        },
        {
          "type": "R(pim)",
          "value": 1.232
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.752
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.13],
      "number_observations_unique": 1606,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 6.294
        },
        {
          "type": "R(pim)",
          "value": 0.943
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.17],
      "number_observations_unique": 1666,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 4.701
        },
        {
          "type": "R(pim)",
          "value": 0.694
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.930
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.22],
      "number_observations_unique": 1652,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 3.137
        },
        {
          "type": "R(pim)",
          "value": 0.458
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.908
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.27],
      "number_observations_unique": 1644,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 3.407
        },
        {
          "type": "R(pim)",
          "value": 0.495
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.923
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.32],
      "number_observations_unique": 1647,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.638
        },
        {
          "type": "R(pim)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.38],
      "number_observations_unique": 1635,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.056
        },
        {
          "type": "R(pim)",
          "value": 0.304
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.44],
      "number_observations_unique": 1646,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.552
        },
        {
          "type": "R(pim)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.51],
      "number_observations_unique": 1650,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.081
        },
        {
          "type": "R(pim)",
          "value": 0.160
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.60],
      "number_observations_unique": 1659,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.923
        },
        {
          "type": "R(pim)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.88
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.69],
      "number_observations_unique": 1644,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.968
        },
        {
          "type": "R(pim)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 5.1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.80],
      "number_observations_unique": 1659,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.478
        },
        {
          "type": "R(pim)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 7.5
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.92],
      "number_observations_unique": 1639,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.310
        },
        {
          "type": "R(pim)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 11.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.27,3.08],
      "number_observations_unique": 1661,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.219
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 16.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.27],
      "number_observations_unique": 1655,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 27.0
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.52],
      "number_observations_unique": 1671,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "R(pim)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 43.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.44,3.88],
      "number_observations_unique": 1663,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 63.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [5.59,4.44],
      "number_observations_unique": 1671,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 82.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [69.30,5.59],
      "number_observations_unique": 1725,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 106.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 69.260 69.300 2.130
High resolution limit [Å] 2.060 5.590 2.100
R(meas) 0.1700 0.0680 8.0760
R(pim) 0.0250 0.0100 1.2320
CC(1/2) 1.000 1.000 0.752
Completeness [%] 100.0 100.0 100.0
Multiplicity 46.0 - -


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

Resolution [Å] R(meas) R(pim) CC(1/2) Completeness [%]
69.300-5.590 0.0680 0.0100 1.000 100.0
5.590-4.440 0.0760 0.0110 1.000 100.0
4.440-3.880 0.0910 0.0130 1.000 100.0
3.880-3.520 0.1120 0.0170 0.999 100.0
3.520-3.270 0.1550 0.0230 0.999 100.0
3.270-3.080 0.2190 0.0320 0.998 100.0
3.080-2.920 0.3100 0.0450 0.998 100.0
2.920-2.800 0.4780 0.0690 0.996 100.0
2.800-2.690 0.9680 0.1010 0.991 100.0
2.690-2.600 0.9230 0.1340 0.880 100.0
2.600-2.510 1.0810 0.1600 0.987 100.0
2.510-2.440 1.5520 0.2290 0.981 100.0
2.440-2.380 2.0560 0.3040 0.963 100.0
2.380-2.320 2.6380 0.3850 0.960 100.0
2.320-2.270 3.4070 0.4950 0.923 100.0
2.270-2.220 3.1370 0.4580 0.908 100.0
2.220-2.170 4.7010 0.6940 0.930 100.0
2.170-2.130 6.2940 0.9430 0.856 100.0
2.130-2.100 8.0760 1.2320 0.752 100.0
2.100-2.060 4.6060 0.7260 0.603 100.0