Data quality metrics extracted from 7um4.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": "860075bc857e0d55726affb7cda03246",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 135.289,
    "b": 42.460,
    "c": 94.787,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.800],
    "number_observations_unique": 13732,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.307
      },
      {
        "type": "R(meas)",
        "value": 0.332
      },
      {
        "type": "R(pim)",
        "value": 0.122
      },
      {
        "type": "I/SigI",
        "value": 5.8
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 6.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.900,2.800],
      "number_observations_unique": 1285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.024
        },
        {
          "type": "R(meas)",
          "value": 1.185
        },
        {
          "type": "R(pim)",
          "value": 0.581
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.554
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.900],
      "number_observations_unique": 1359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.016
        },
        {
          "type": "R(meas)",
          "value": 1.139
        },
        {
          "type": "R(pim)",
          "value": 0.501
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 4.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.534
        }
      ]
    },
    {
      "resolution_limits": [3.150,3.020],
      "number_observations_unique": 1330,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.962
        },
        {
          "type": "R(meas)",
          "value": 1.066
        },
        {
          "type": "R(pim)",
          "value": 0.449
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.705
        }
      ]
    },
    {
      "resolution_limits": [3.320,3.150],
      "number_observations_unique": 1350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.927
        },
        {
          "type": "R(meas)",
          "value": 1.011
        },
        {
          "type": "R(pim)",
          "value": 0.392
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.579
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.320],
      "number_observations_unique": 1370,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.685
        },
        {
          "type": "R(meas)",
          "value": 0.743
        },
        {
          "type": "R(pim)",
          "value": 0.280
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.792
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.530],
      "number_observations_unique": 1379,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.505
        },
        {
          "type": "R(meas)",
          "value": 0.544
        },
        {
          "type": "R(pim)",
          "value": 0.196
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    },
    {
      "resolution_limits": [4.180,3.800],
      "number_observations_unique": 1373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "R(pim)",
          "value": 0.140
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.918
        }
      ]
    },
    {
      "resolution_limits": [4.790,4.180],
      "number_observations_unique": 1375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.285
        },
        {
          "type": "R(meas)",
          "value": 0.306
        },
        {
          "type": "R(pim)",
          "value": 0.110
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.940
        }
      ]
    },
    {
      "resolution_limits": [6.030,4.790],
      "number_observations_unique": 1423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "R(meas)",
          "value": 0.274
        },
        {
          "type": "R(pim)",
          "value": 0.097
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 7.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [50.000,6.030],
      "number_observations_unique": 1488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "R(meas)",
          "value": 0.221
        },
        {
          "type": "R(pim)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 7.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.020
High resolution limit [Å] 2.800 6.030 2.900
R(merge) 0.3070 0.2050 1.0160
R(meas) 0.3320 0.2210 1.1390
R(pim) 0.1220 0.0790 0.5010
CC(1/2) - 0.960 0.534
Completeness [%] 99.2 98.0 98.8
Multiplicity 6.6 7.4 4.7


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-6.030 0.2050 0.2210 0.0790 0.960 98.0 7.4
6.030-4.790 0.2550 0.2740 0.0970 0.949 99.6 7.9
4.790-4.180 0.2850 0.3060 0.1100 0.940 99.8 7.7
4.180-3.800 0.3570 0.3850 0.1400 0.918 99.7 7.4
3.800-3.530 0.5050 0.5440 0.1960 0.876 100.0 7.7
3.530-3.320 0.6850 0.7430 0.2800 0.792 99.9 7.0
3.320-3.150 0.9270 1.0110 0.3920 0.579 99.5 6.4
3.150-3.020 0.9620 1.0660 0.4490 0.705 99.3 5.3
3.020-2.900 1.0160 1.1390 0.5010 0.534 98.8 4.7
2.900-2.800 1.0240 1.1850 0.5810 0.554 97.2 3.6