Data quality metrics extracted from 6p7d.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": "eb841d20200ef5be033330ffaf661e48",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 60.096,
    "b": 99.329,
    "c": 147.421,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.110],
    "number_observations": 464961,
    "number_observations_unique": 44327,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.233
      },
      {
        "type": "R(meas)",
        "value": 0.243
      },
      {
        "type": "R(pim)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 6.000
      },
      {
        "type": "Completeness",
        "value": 86.700
      },
      {
        "type": "Redundancy",
        "value": 10.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.150,2.110],
      "number_observations_unique": 239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.056
        },
        {
          "type": "R(meas)",
          "value": 2.796
        },
        {
          "type": "R(pim)",
          "value": 1.877
        },
        {
          "type": "Completeness",
          "value": 9.500
        },
        {
          "type": "Redundancy",
          "value": 1.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.107
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.150],
      "number_observations_unique": 572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.272
        },
        {
          "type": "R(meas)",
          "value": 2.975
        },
        {
          "type": "R(pim)",
          "value": 1.891
        },
        {
          "type": "Completeness",
          "value": 22.800
        },
        {
          "type": "Redundancy",
          "value": 1.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.107
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.190],
      "number_observations_unique": 1117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.290
        },
        {
          "type": "R(meas)",
          "value": 2.833
        },
        {
          "type": "R(pim)",
          "value": 1.624
        },
        {
          "type": "Completeness",
          "value": 43.800
        },
        {
          "type": "Redundancy",
          "value": 1.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.073
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.230],
      "number_observations_unique": 1720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.948
        },
        {
          "type": "R(meas)",
          "value": 2.328
        },
        {
          "type": "R(pim)",
          "value": 1.232
        },
        {
          "type": "Completeness",
          "value": 68.900
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.165
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.270],
      "number_observations_unique": 2210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.703
        },
        {
          "type": "R(meas)",
          "value": 1.933
        },
        {
          "type": "R(pim)",
          "value": 0.881
        },
        {
          "type": "Completeness",
          "value": 88.400
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.250
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.320],
      "number_observations_unique": 2455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.627
        },
        {
          "type": "R(meas)",
          "value": 1.784
        },
        {
          "type": "R(pim)",
          "value": 0.712
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.352
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.380],
      "number_observations_unique": 2502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.553
        },
        {
          "type": "R(meas)",
          "value": 1.669
        },
        {
          "type": "R(pim)",
          "value": 0.601
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.516
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.440],
      "number_observations_unique": 2548,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.402
        },
        {
          "type": "R(meas)",
          "value": 1.490
        },
        {
          "type": "R(pim)",
          "value": 0.498
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.683
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.500],
      "number_observations_unique": 2527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.411
        },
        {
          "type": "R(meas)",
          "value": 1.486
        },
        {
          "type": "R(pim)",
          "value": 0.461
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.780
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.580],
      "number_observations_unique": 2521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.509
        },
        {
          "type": "R(meas)",
          "value": 1.576
        },
        {
          "type": "R(pim)",
          "value": 0.451
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.660],
      "number_observations_unique": 2554,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.405
        },
        {
          "type": "R(meas)",
          "value": 1.461
        },
        {
          "type": "R(pim)",
          "value": 0.396
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.897
        }
      ]
    },
    {
      "resolution_limits": [2.860,2.750],
      "number_observations_unique": 2549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.120
        },
        {
          "type": "R(meas)",
          "value": 1.162
        },
        {
          "type": "R(pim)",
          "value": 0.309
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.860],
      "number_observations_unique": 2542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.728
        },
        {
          "type": "R(meas)",
          "value": 0.755
        },
        {
          "type": "R(pim)",
          "value": 0.199
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [3.150,2.990],
      "number_observations_unique": 2565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        },
        {
          "type": "R(meas)",
          "value": 0.488
        },
        {
          "type": "R(pim)",
          "value": 0.128
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.150],
      "number_observations_unique": 2541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.292
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "R(pim)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.350],
      "number_observations_unique": 2571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "R(meas)",
          "value": 0.219
        },
        {
          "type": "R(pim)",
          "value": 0.057
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.970,3.610],
      "number_observations_unique": 2593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "R(pim)",
          "value": 0.045
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.540,3.970],
      "number_observations_unique": 2600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [5.720,4.540],
      "number_observations_unique": 2632,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [50.000,5.720],
      "number_observations_unique": 2769,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 13.600
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.190
High resolution limit [Å] 2.110 5.720 2.150
R(merge) 0.2330 - 2.2720
R(meas) 0.2430 - 2.9750
R(pim) 0.0670 - 1.8910
CC(1/2) - - 0.107
Completeness [%] 86.7 99.7 22.8
Multiplicity 10.5 13.6 1.3


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-5.720 - - - - 99.7 13.6
5.720-4.540 0.1180 0.1220 0.0330 0.993 100.0 14.4
4.540-3.970 0.1330 0.1370 0.0360 0.994 100.0 14.5
3.970-3.610 0.1650 0.1710 0.0450 0.991 100.0 14.5
3.610-3.350 0.2110 0.2190 0.0570 0.989 100.0 14.5
3.350-3.150 0.2920 0.3020 0.0790 0.986 100.0 14.5
3.150-2.990 0.4710 0.4880 0.1280 0.977 100.0 14.3
2.990-2.860 0.7280 0.7550 0.1990 0.968 100.0 14.1
2.860-2.750 1.1200 1.1620 0.3090 0.948 100.0 13.3
2.750-2.660 1.4050 1.4610 0.3960 0.897 100.0 11.8
2.660-2.580 1.5090 1.5760 0.4510 0.843 100.0 10.0
2.580-2.500 1.4110 1.4860 0.4610 0.780 100.0 8.7
2.500-2.440 1.4020 1.4900 0.4980 0.683 100.0 7.4
2.440-2.380 1.5530 1.6690 0.6010 0.516 99.8 5.9
2.380-2.320 1.6270 1.7840 0.7120 0.352 97.3 4.1
2.320-2.270 1.7030 1.9330 0.8810 0.250 88.4 2.8
2.270-2.230 1.9480 2.3280 1.2320 0.165 68.9 2.1
2.230-2.190 2.2900 2.8330 1.6240 0.073 43.8 1.5
2.190-2.150 2.2720 2.9750 1.8910 0.107 22.8 1.3
2.150-2.110 2.0560 2.7960 1.8770 0.107 9.5 1.1