Data quality metrics extracted from 5mao.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": "6dae8979cad635157de70e4a90c49c0a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.51,
    "b": 48.27,
    "c": 64.97,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.75,1.350],
    "number_observations": 129298,
    "number_observations_unique": 26573,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 6.670
      },
      {
        "type": "Completeness",
        "value": 97.100
      },
      {
        "type": "Redundancy",
        "value": 4.87
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.390,1.350],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.690
        },
        {
          "type": "I/SigI",
          "value": 0.860
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.286
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.390],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.425
        },
        {
          "type": "I/SigI",
          "value": 1.050
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.434
        }
      ]
    },
    {
      "resolution_limits": [1.460,1.420],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.310
        },
        {
          "type": "I/SigI",
          "value": 1.180
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.462
        }
      ]
    },
    {
      "resolution_limits": [1.510,1.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.068
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.640
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.510],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.837
        },
        {
          "type": "I/SigI",
          "value": 2.110
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.777
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.560],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.698
        },
        {
          "type": "I/SigI",
          "value": 2.440
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.844
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.610],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.591
        },
        {
          "type": "I/SigI",
          "value": 2.790
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.879
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.670],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.481
        },
        {
          "type": "I/SigI",
          "value": 3.620
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.740],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 5.670
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.820],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 6.660
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.910],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 9.000
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.010],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 10.060
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.130],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 11.030
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.280],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 12.540
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 13.750
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.700],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 15.540
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.020],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 17.690
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.270,3.490],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 20.140
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.040,4.270],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 19.570
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [38.75,6.040],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 19.590
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 38.750 38.750 1.420
High resolution limit [Å] 1.350 6.040 1.390
R(merge) 0.1240 0.0450 1.4250
R(meas) 0.1390 - -
CC(1/2) 0.997 0.997 0.434
Completeness [%] 97.1 97.0 96.9
Multiplicity 4.9 - -


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

Resolution [Å] R(merge) CC(1/2) Completeness [%]
38.750-6.040 0.0450 0.997 97.0
6.040-4.270 0.0460 0.997 98.4
4.270-3.490 0.0570 0.997 97.4
3.490-3.020 0.0620 0.996 97.6
3.020-2.700 0.0750 0.994 98.8
2.700-2.460 0.0880 0.994 98.8
2.460-2.280 0.1010 0.992 98.7
2.280-2.130 0.1320 0.987 95.7
2.130-2.010 0.1490 0.985 98.6
2.010-1.910 0.1990 0.982 98.4
1.910-1.820 0.2910 0.964 97.8
1.820-1.740 0.3390 0.949 98.1
1.740-1.670 0.4810 0.898 96.9
1.670-1.610 0.5910 0.879 95.8
1.610-1.560 0.6980 0.844 96.1
1.560-1.510 0.8370 0.777 96.4
1.510-1.460 1.0680 0.640 96.1
1.460-1.420 1.3100 0.462 96.9
1.420-1.390 1.4250 0.434 96.9
1.390-1.350 1.6900 0.286 96.0