Data quality metrics extracted from 6b39.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": "2ccd36b0134eb5d50536c9c790c519b9",
  "space_group_name": "P 42 2 2",
  "unit_cell": {
    "a": 152.871,
    "b": 152.871,
    "c": 95.169,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300,0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.342,2.390],
    "number_observations": 305308,
    "number_observations_unique": 42220,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 11.780
      },
      {
        "type": "Completeness",
        "value": 93.700
      },
      {
        "type": "Redundancy",
        "value": 7.231
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.540,2.390],
      "number_observations": 49976,
      "number_observations_unique": 6846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.768
        },
        {
          "type": "R(meas)",
          "value": 1.902
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 7.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.349
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.540],
      "number_observations": 47067,
      "number_observations_unique": 6424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.041
        },
        {
          "type": "R(meas)",
          "value": 1.118
        },
        {
          "type": "I/SigI",
          "value": 1.490
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 7.327
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.710],
      "number_observations": 42800,
      "number_observations_unique": 5928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.605
        },
        {
          "type": "R(meas)",
          "value": 0.650
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 94.500
        },
        {
          "type": "Redundancy",
          "value": 7.220
        },
        {
          "type": "CC(1/2)",
          "value": 0.851
        }
      ]
    },
    {
      "resolution_limits": [3.210,2.930],
      "number_observations": 37846,
      "number_observations_unique": 5467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        },
        {
          "type": "R(meas)",
          "value": 0.334
        },
        {
          "type": "I/SigI",
          "value": 5.260
        },
        {
          "type": "Completeness",
          "value": 93.900
        },
        {
          "type": "Redundancy",
          "value": 6.923
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.210],
      "number_observations": 35469,
      "number_observations_unique": 4939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 11.690
        },
        {
          "type": "Completeness",
          "value": 93.400
        },
        {
          "type": "Redundancy",
          "value": 7.181
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.580],
      "number_observations": 33210,
      "number_observations_unique": 4371,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 21.500
        },
        {
          "type": "Completeness",
          "value": 92.700
        },
        {
          "type": "Redundancy",
          "value": 7.598
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.050,4.130],
      "number_observations": 26980,
      "number_observations_unique": 3689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 30.950
        },
        {
          "type": "Completeness",
          "value": 92.200
        },
        {
          "type": "Redundancy",
          "value": 7.314
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.110,5.050],
      "number_observations": 19799,
      "number_observations_unique": 2866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 30.630
        },
        {
          "type": "Completeness",
          "value": 90.300
        },
        {
          "type": "Redundancy",
          "value": 6.908
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [48.342,7.110],
      "number_observations": 12161,
      "number_observations_unique": 1690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 49.680
        },
        {
          "type": "Completeness",
          "value": 88.200
        },
        {
          "type": "Redundancy",
          "value": 7.196
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.342 48.342 2.710
High resolution limit [Å] 2.390 7.110 2.540
R(merge) 0.1050 0.0310 1.0410
R(meas) 0.1130 0.0330 1.1180
CC(1/2) 0.998 0.999 0.629
Completeness [%] 93.7 88.2 95.2
Multiplicity 7.2 7.2 7.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
48.342-7.110 0.0310 0.0330 0.999 88.2 7.2
7.110-5.050 0.0540 0.0580 0.998 90.3 6.9
5.050-4.130 0.0570 0.0610 0.998 92.2 7.3
4.130-3.580 0.0820 0.0870 0.996 92.7 7.6
3.580-3.210 0.1380 0.1490 0.991 93.4 7.2
3.210-2.930 0.3100 0.3340 0.952 93.9 6.9
2.930-2.710 0.6050 0.6500 0.851 94.5 7.2
2.710-2.540 1.0410 1.1180 0.629 95.2 7.3
2.540-2.390 1.7680 1.9020 0.349 95.9 7.3