Data quality metrics extracted from 7zgf.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": "6c021988712ed564181967fd48d902ae",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 68.848,
    "b": 87.137,
    "c": 70.358,
    "alpha": 90.000,
    "beta": 97.402,
    "gamma": 90.000
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.771,2.05],
    "number_observations_unique": 51333,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.133
      },
      {
        "type": "I/SigI",
        "value": 4.3
      },
      {
        "type": "Completeness",
        "value": 99.11
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,2.05],
      "number_observations_unique": 2541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.733
        },
        {
          "type": "R(pim)",
          "value": 0.528
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 98.45
        },
        {
          "type": "Redundancy",
          "value": 2.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.586
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.09],
      "number_observations_unique": 2528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.680
        },
        {
          "type": "R(pim)",
          "value": 0.488
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 98.48
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.589
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.12],
      "number_observations_unique": 2524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.606
        },
        {
          "type": "R(pim)",
          "value": 0.438
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 98.4
        },
        {
          "type": "Redundancy",
          "value": 2.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.633
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.16],
      "number_observations_unique": 2557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.532
        },
        {
          "type": "R(pim)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 98.84
        },
        {
          "type": "Redundancy",
          "value": 2.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.21],
      "number_observations_unique": 2548,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "R(pim)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 2
        },
        {
          "type": "Completeness",
          "value": 99.14
        },
        {
          "type": "Redundancy",
          "value": 2.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.721
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.26],
      "number_observations_unique": 2586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "R(pim)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 99.46
        },
        {
          "type": "Redundancy",
          "value": 2.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.734
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.31],
      "number_observations_unique": 2557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        },
        {
          "type": "R(pim)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 99.19
        },
        {
          "type": "Redundancy",
          "value": 2.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.763
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.37],
      "number_observations_unique": 2578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "R(pim)",
          "value": 0.283
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 2.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.815
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.43],
      "number_observations_unique": 2520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "R(pim)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 98.59
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.806
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.5],
      "number_observations_unique": 2552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "R(pim)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 3
        },
        {
          "type": "Completeness",
          "value": 99.22
        },
        {
          "type": "Redundancy",
          "value": 2.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.86
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.58],
      "number_observations_unique": 2547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(pim)",
          "value": 0.209
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 98.72
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.68],
      "number_observations_unique": 2566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        },
        {
          "type": "R(pim)",
          "value": 0.189
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 98.88
        },
        {
          "type": "Redundancy",
          "value": 2.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.893
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.78],
      "number_observations_unique": 2577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        },
        {
          "type": "R(pim)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 99.42
        },
        {
          "type": "Redundancy",
          "value": 2.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.92
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.91],
      "number_observations_unique": 2565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(pim)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 99.73
        },
        {
          "type": "Redundancy",
          "value": 2.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [3.25,3.06],
      "number_observations_unique": 2560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(pim)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 98.92
        },
        {
          "type": "Redundancy",
          "value": 2.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.25],
      "number_observations_unique": 2572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(pim)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 6.9
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 2.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [3.86,3.51],
      "number_observations_unique": 2572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 8.6
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 2.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [4.42,3.86],
      "number_observations_unique": 2590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(pim)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 99.58
        },
        {
          "type": "Redundancy",
          "value": 2.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [5.56,4.42],
      "number_observations_unique": 2603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(pim)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 9.6
        },
        {
          "type": "Completeness",
          "value": 99.54
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 69.771 5.560 2.120
High resolution limit [Å] 2.050 4.420 2.090
R(merge) 0.1820 0.0700 0.6800
R(pim) 0.1330 0.0520 0.4880
CC(1/2) - 0.986 0.589
Completeness [%] 99.1 99.5 98.5
Multiplicity 2.8 2.7 2.9


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
5.560-4.420 0.0700 0.0520 0.986 99.5 2.7
4.420-3.860 0.0760 0.0550 0.984 99.6 2.8
3.860-3.510 0.1010 0.0730 0.978 99.5 2.9
3.510-3.250 0.1240 0.0900 0.969 99.5 2.9
3.250-3.060 0.1510 0.1130 0.953 98.9 2.6
3.060-2.910 0.2010 0.1490 0.928 99.7 2.7
2.910-2.780 0.2190 0.1580 0.920 99.4 2.9
2.780-2.680 0.2620 0.1890 0.893 98.9 2.9
2.680-2.580 0.2900 0.2090 0.869 98.7 2.9
2.580-2.500 0.3230 0.2340 0.860 99.2 2.9
2.500-2.430 0.3480 0.2600 0.806 98.6 2.7
2.430-2.370 0.3730 0.2830 0.815 100.0 2.6
2.370-2.310 0.4130 0.3090 0.763 99.2 2.7
2.310-2.260 0.4540 0.3370 0.734 99.5 2.8
2.260-2.210 0.4850 0.3540 0.721 99.1 2.8
2.210-2.160 0.5320 0.3870 0.696 98.8 2.9
2.160-2.120 0.6060 0.4380 0.633 98.4 2.9
2.120-2.090 0.6800 0.4880 0.589 98.5 2.9
2.090-2.050 0.7330 0.5280 0.586 98.5 2.9