Data quality metrics extracted from 5hsa.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": "5da512721e83d8e189d07536029e9132",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 117.10,
    "b": 165.19,
    "c": 164.31,
    "alpha": 90.00,
    "beta": 95.67,
    "gamma": 90.00
  },
  "wavelengths": [0.91842],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.350],
    "number_observations": 815776,
    "number_observations_unique": 254643,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 9.770
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.450,2.350],
      "number_observations": 80735,
      "number_observations_unique": 29314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.782
        },
        {
          "type": "R(meas)",
          "value": 0.965
        },
        {
          "type": "I/SigI",
          "value": 1.670
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 2.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.511
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.450],
      "number_observations": 83095,
      "number_observations_unique": 25513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.609
        },
        {
          "type": "R(meas)",
          "value": 0.730
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.673
        }
      ]
    },
    {
      "resolution_limits": [2.810,2.550],
      "number_observations": 163930,
      "number_observations_unique": 50218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.399
        },
        {
          "type": "R(meas)",
          "value": 0.478
        },
        {
          "type": "I/SigI",
          "value": 3.580
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.831
        }
      ]
    },
    {
      "resolution_limits": [3.530,2.810],
      "number_observations": 243520,
      "number_observations_unique": 74362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.170
        },
        {
          "type": "I/SigI",
          "value": 8.560
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [3.890,3.530],
      "number_observations": 62195,
      "number_observations_unique": 19105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 16.270
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.250,3.890],
      "number_observations": 42509,
      "number_observations_unique": 13116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 18.910
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.610,4.250],
      "number_observations": 30271,
      "number_observations_unique": 9348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 21.000
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [14.000,4.610],
      "number_observations": 106172,
      "number_observations_unique": 32553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 23.690
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [17.000,14.000],
      "number_observations": 1697,
      "number_observations_unique": 545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 32.720
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.000,17.000],
      "number_observations": 1652,
      "number_observations_unique": 569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 32.060
        },
        {
          "type": "Completeness",
          "value": 81.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50,50.000],
      "quality_factors": [

      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.550
High resolution limit [Å] 2.350 17.000 2.450
R(merge) 0.1070 0.0260 0.6090
R(meas) 0.1280 0.0320 0.7300
CC(1/2) 0.994 0.999 0.673
Completeness [%] 98.7 81.9 99.6
Multiplicity 3.2 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-50.000 - - - - -
17.000-14.000 0.0240 0.0280 0.999 96.1 -
14.000-4.610 0.0410 0.0490 0.997 97.8 -
4.610-4.250 0.0480 0.0580 0.996 98.3 -
4.250-3.890 0.0540 0.0650 0.995 98.5 -
3.890-3.530 0.0660 0.0790 0.993 98.8 -
3.530-2.810 0.1420 0.1700 0.979 99.3 -
2.810-2.550 0.3990 0.4780 0.831 99.5 -
2.550-2.450 0.6090 0.7300 0.673 99.6 -
2.450-2.350 0.7820 0.9650 0.511 97.1 2.8