Data quality metrics extracted from 5lqc.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": "314dc34a48763a2ae420253218b2646d",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 50.758,
    "b": 50.758,
    "c": 170.215,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.74,1.900],
    "number_observations_unique": 20504,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 11.480
      },
      {
        "type": "Completeness",
        "value": 98.400
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.950,1.900],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.702
        },
        {
          "type": "I/SigI",
          "value": 0.820
        },
        {
          "type": "Completeness",
          "value": 89.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.315
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.950],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.442
        },
        {
          "type": "I/SigI",
          "value": 1.220
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.552
        }
      ]
    },
    {
      "resolution_limits": [2.060,2.010],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.185
        },
        {
          "type": "I/SigI",
          "value": 1.810
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.679
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.060],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.961
        },
        {
          "type": "I/SigI",
          "value": 2.350
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.130],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.733
        },
        {
          "type": "I/SigI",
          "value": 3.150
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.863
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.200],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.567
        },
        {
          "type": "I/SigI",
          "value": 3.990
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.270],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.451
        },
        {
          "type": "I/SigI",
          "value": 5.180
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.360],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "I/SigI",
          "value": 6.420
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.300
        },
        {
          "type": "I/SigI",
          "value": 7.810
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.570],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 9.710
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.690],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 12.200
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.010,2.840],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 15.910
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.220,3.010],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 19.470
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.220],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 23.870
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.470],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 27.880
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.810],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 30.810
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.910,4.260],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 33.920
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.020,4.910],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 33.460
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.510,6.020],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 33.970
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [56.74,8.510],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 35.810
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 56.740 56.740 2.010
High resolution limit [Å] 1.900 8.510 1.950
R(merge) 0.0960 0.0270 1.4420
CC(1/2) 0.999 0.999 0.552
Completeness [%] 98.4 96.2 99.2
Multiplicity 6.5 - -


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

Resolution [Å] R(merge) CC(1/2) Completeness [%]
56.740-8.510 0.0270 0.999 96.2
8.510-6.020 0.0360 0.999 97.3
6.020-4.910 0.0450 0.998 98.6
4.910-4.260 0.0420 0.998 98.0
4.260-3.810 0.0530 0.998 98.3
3.810-3.470 0.0590 0.998 99.5
3.470-3.220 0.0740 0.996 99.3
3.220-3.010 0.0990 0.993 99.1
3.010-2.840 0.1290 0.994 99.3
2.840-2.690 0.1800 0.988 99.0
2.690-2.570 0.2300 0.984 99.3
2.570-2.460 0.3000 0.971 99.8
2.460-2.360 0.3650 0.969 99.7
2.360-2.270 0.4510 0.955 99.5
2.270-2.200 0.5670 0.968 98.8
2.200-2.130 0.7330 0.863 98.7
2.130-2.060 0.9610 0.816 98.9
2.060-2.010 1.1850 0.679 99.6
2.010-1.950 1.4420 0.552 99.2
1.950-1.900 1.7020 0.315 89.8