Data quality metrics extracted from 7saj.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": "aeb8791bc118e914eb1ac316a4dbf009",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 171.437,
    "b": 160.560,
    "c": 88.786,
    "alpha": 90.00,
    "beta": 109.02,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.0000,2.250],
    "number_observations_unique": 106342,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 8.900
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 3.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.330,2.250],
      "number_observations_unique": 10673,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.864
        },
        {
          "type": "R(meas)",
          "value": 1.019
        },
        {
          "type": "R(pim)",
          "value": 0.534
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.525
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.330],
      "number_observations_unique": 10569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.653
        },
        {
          "type": "R(meas)",
          "value": 0.773
        },
        {
          "type": "R(pim)",
          "value": 0.407
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.705
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.420],
      "number_observations_unique": 10344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.473
        },
        {
          "type": "R(meas)",
          "value": 0.563
        },
        {
          "type": "R(pim)",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.796
        }
      ]
    },
    {
      "resolution_limits": [2.670,2.530],
      "number_observations_unique": 10645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "R(meas)",
          "value": 0.420
        },
        {
          "type": "R(pim)",
          "value": 0.217
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.670],
      "number_observations_unique": 10639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "R(meas)",
          "value": 0.267
        },
        {
          "type": "R(pim)",
          "value": 0.138
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.830],
      "number_observations_unique": 10701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.167
        },
        {
          "type": "R(pim)",
          "value": 0.086
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.050],
      "number_observations_unique": 10686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.360],
      "number_observations_unique": 10548,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "R(pim)",
          "value": 0.029
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.850,3.850],
      "number_observations_unique": 10756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "R(pim)",
          "value": 0.019
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.850],
      "number_observations_unique": 10781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 71.000 50.000 2.420
High resolution limit [Å] 2.250 4.850 2.330
R(merge) 0.0630 0.0250 0.6530
R(meas) 0.0740 0.0300 0.7730
R(pim) 0.0390 0.0150 0.4070
CC(1/2) - 0.999 0.705
Completeness [%] 99.1 99.3 99.3
Multiplicity 3.6 3.6 3.5


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-4.850 0.0250 0.0300 0.0150 0.999 99.3 3.6
4.850-3.850 0.0320 0.0370 0.0190 0.999 100.0 3.8
3.850-3.360 0.0460 0.0540 0.0290 0.997 98.3 3.4
3.360-3.050 0.0760 0.0890 0.0460 0.994 99.5 3.6
3.050-2.830 0.1420 0.1670 0.0860 0.979 99.8 3.7
2.830-2.670 0.2280 0.2670 0.1380 0.955 99.8 3.7
2.670-2.530 0.3580 0.4200 0.2170 0.882 99.5 3.7
2.530-2.420 0.4730 0.5630 0.3000 0.796 96.3 3.3
2.420-2.330 0.6530 0.7730 0.4070 0.705 99.3 3.5
2.330-2.250 0.8640 1.0190 0.5340 0.525 99.5 3.6