Data quality metrics extracted from 8d8x.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": "4819992b42d58a82724ace7ef689b14b",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 82.339,
    "b": 110.259,
    "c": 84.418,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.973,1.360],
    "number_observations": 1082293,
    "number_observations_unique": 82313,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 18.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 13.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.430,1.360],
      "number_observations": 161039,
      "number_observations_unique": 11924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.254
        },
        {
          "type": "R(meas)",
          "value": 1.303
        },
        {
          "type": "R(pim)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.500
        }
      ]
    },
    {
      "resolution_limits": [1.520,1.430],
      "number_observations": 148186,
      "number_observations_unique": 11230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.811
        },
        {
          "type": "R(meas)",
          "value": 0.844
        },
        {
          "type": "R(pim)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.200
        }
      ]
    },
    {
      "resolution_limits": [1.630,1.520],
      "number_observations": 135266,
      "number_observations_unique": 10657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "R(meas)",
          "value": 0.524
        },
        {
          "type": "R(pim)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.700
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.630],
      "number_observations": 136021,
      "number_observations_unique": 9901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.327
        },
        {
          "type": "R(meas)",
          "value": 0.339
        },
        {
          "type": "R(pim)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.700
        }
      ]
    },
    {
      "resolution_limits": [1.920,1.760],
      "number_observations": 121892,
      "number_observations_unique": 9107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(meas)",
          "value": 0.188
        },
        {
          "type": "R(pim)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.400
        }
      ]
    },
    {
      "resolution_limits": [2.150,1.920],
      "number_observations": 109322,
      "number_observations_unique": 8278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 7.300
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.200
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.150],
      "number_observations": 99015,
      "number_observations_unique": 7326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 10.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.500
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.480],
      "number_observations": 76582,
      "number_observations_unique": 6230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 13.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.300
        }
      ]
    },
    {
      "resolution_limits": [4.300,3.040],
      "number_observations": 62400,
      "number_observations_unique": 4889,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 16.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.800
        }
      ]
    },
    {
      "resolution_limits": [46.158,4.300],
      "number_observations": 32570,
      "number_observations_unique": 2771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 16.800
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 11.800
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 65.973 46.158 1.520
High resolution limit [Å] 1.360 4.300 1.430
R(merge) 0.0800 0.0340 0.8110
R(meas) 0.0830 0.0360 0.8440
R(pim) 0.0230 0.0100 0.2300
Completeness [%] 99.9 99.4 99.9
Multiplicity 13.1 11.8 13.2


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

Resolution [Å] R(merge) R(meas) R(pim) Completeness [%] Multiplicity
46.158-4.300 0.0340 0.0360 0.0100 99.4 11.8
4.300-3.040 0.0380 0.0390 0.0110 99.9 12.8
3.040-2.480 0.0490 0.0510 0.0150 99.9 12.3
2.480-2.150 0.0650 0.0680 0.0180 99.9 13.5
2.150-1.920 0.1000 0.1040 0.0280 99.8 13.2
1.920-1.760 0.1810 0.1880 0.0510 99.9 13.4
1.760-1.630 0.3270 0.3390 0.0910 99.9 13.7
1.630-1.520 0.5030 0.5240 0.1450 99.9 12.7
1.520-1.430 0.8110 0.8440 0.2300 99.9 13.2
1.430-1.360 1.2540 1.3030 0.3500 99.9 13.5