Data quality metrics extracted from 8ohh.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": "8b77267326f418e3dc0bf7669f81cee4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 118.80,
    "b": 39.03,
    "c": 68.07,
    "alpha": 90.00,
    "beta": 95.63,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.30],
    "number_observations_unique": 138009,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "R(meas)",
        "value": 0.10099999999999999
      },
      {
        "type": "I/SigI",
        "value": 7.66
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.34,1.31],
      "number_observations_unique": 10120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.759
        },
        {
          "type": "R(meas)",
          "value": 3.4339999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.215
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.34],
      "number_observations_unique": 9607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.247
        },
        {
          "type": "R(meas)",
          "value": 2.815
        },
        {
          "type": "CC(1/2)",
          "value": 0.244
        }
      ]
    },
    {
      "resolution_limits": [1.42,1.38],
      "number_observations_unique": 9693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.7830000000000001
        },
        {
          "type": "R(meas)",
          "value": 2.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.322
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.42],
      "number_observations_unique": 9430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.4569999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.805
        },
        {
          "type": "CC(1/2)",
          "value": 0.445
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.46],
      "number_observations_unique": 9100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.114
        },
        {
          "type": "R(meas)",
          "value": 1.383
        },
        {
          "type": "CC(1/2)",
          "value": 0.552
        }
      ]
    },
    {
      "resolution_limits": [1.57,1.51],
      "number_observations_unique": 8881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8320000000000001
        },
        {
          "type": "R(meas)",
          "value": 1.035
        },
        {
          "type": "CC(1/2)",
          "value": 0.68
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.57],
      "number_observations_unique": 8278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.609
        },
        {
          "type": "R(meas)",
          "value": 0.7609999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.79
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.62],
      "number_observations_unique": 8298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.528
        },
        {
          "type": "R(meas)",
          "value": 0.6509999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.69],
      "number_observations_unique": 7960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.391
        },
        {
          "type": "R(meas)",
          "value": 0.48100000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.9109999999999999
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.77],
      "number_observations_unique": 7610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "R(meas)",
          "value": 0.34700000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 0.9390000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.85],
      "number_observations_unique": 7269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "R(meas)",
          "value": 0.237
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.95],
      "number_observations_unique": 6499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "R(meas)",
          "value": 0.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.07],
      "number_observations_unique": 6470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.11599999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.21],
      "number_observations_unique": 6036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.39],
      "number_observations_unique": 5488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055999999999999994
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.62],
      "number_observations_unique": 4804,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.38,2.93],
      "number_observations_unique": 4341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.38],
      "number_observations_unique": 3731,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.86,4.14],
      "number_observations_unique": 2781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.026000000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 5.860 1.380
High resolution limit [Å] 1.300 4.140 1.340
R(merge) 0.0810 0.0210 2.2470
R(meas) 0.1010 0.0260 2.8150
CC(1/2) 0.999 0.999 0.244
Completeness [%] 94.3 - -
Multiplicity 2.6 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2)
5.860-4.140 0.0210 0.0260 0.999
4.140-3.380 0.0240 0.0310 0.999
3.380-2.930 0.0330 0.0410 0.998
2.930-2.620 0.0440 0.0550 0.997
2.620-2.390 0.0560 0.0700 0.995
2.390-2.210 0.0690 0.0860 0.994
2.210-2.070 0.0940 0.1160 0.992
2.070-1.950 0.1200 0.1500 0.986
1.950-1.850 0.1910 0.2370 0.968
1.850-1.770 0.2810 0.3470 0.939
1.770-1.690 0.3910 0.4810 0.911
1.690-1.620 0.5280 0.6510 0.861
1.620-1.570 0.6090 0.7610 0.790
1.570-1.510 0.8320 1.0350 0.680
1.510-1.460 1.1140 1.3830 0.552
1.460-1.420 1.4570 1.8050 0.445
1.420-1.380 1.7830 2.2100 0.322
1.380-1.340 2.2470 2.8150 0.244
1.340-1.310 2.7590 3.4340 0.215