Data quality metrics extracted from 5hmm.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": "972059283e398855a8e39f67eeb044b7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.831,
    "b": 58.591,
    "c": 59.729,
    "alpha": 66.88,
    "beta": 79.40,
    "gamma": 73.78
  },
  "wavelengths": [0.97836],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.735,1.5],
    "number_observations": 313085,
    "number_observations_unique": 83343,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 10.500
      },
      {
        "type": "Completeness",
        "value": 93.100
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.580,1.500],
      "number_observations": 25799,
      "number_observations_unique": 11812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "R(pim)",
          "value": 0.296
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 90.400
        },
        {
          "type": "Redundancy",
          "value": 2.200
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.580],
      "number_observations": 24543,
      "number_observations_unique": 11249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(pim)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 90.400
        },
        {
          "type": "Redundancy",
          "value": 2.200
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.680],
      "number_observations": 22972,
      "number_observations_unique": 10517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(pim)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 90.600
        },
        {
          "type": "Redundancy",
          "value": 2.200
        }
      ]
    },
    {
      "resolution_limits": [1.940,1.790],
      "number_observations": 21354,
      "number_observations_unique": 9794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(pim)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 90.400
        },
        {
          "type": "Redundancy",
          "value": 2.200
        }
      ]
    },
    {
      "resolution_limits": [2.120,1.940],
      "number_observations": 42088,
      "number_observations_unique": 9300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "R(pim)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 3.800
        },
        {
          "type": "Completeness",
          "value": 93.700
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.120],
      "number_observations": 50483,
      "number_observations_unique": 8654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(pim)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 5.800
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.370],
      "number_observations": 43379,
      "number_observations_unique": 7688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(pim)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 6.700
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [3.350,2.740],
      "number_observations": 38287,
      "number_observations_unique": 6528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 8.500
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 5.900
        }
      ]
    },
    {
      "resolution_limits": [4.740,3.350],
      "number_observations": 28314,
      "number_observations_unique": 5038,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 10.400
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [38.730,4.740],
      "number_observations": 15866,
      "number_observations_unique": 2763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 15.300
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 5.700
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 54.735 38.730 1.680
High resolution limit [Å] 1.500 4.740 1.580
R(merge) 0.0830 0.0390 0.2220
R(meas) 0.0930 - -
R(pim) 0.0420 0.0180 0.2030
Completeness [%] 93.1 97.3 90.4
Multiplicity 3.8 5.7 2.2


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
38.730-4.740 0.0390 0.0180 97.3 5.7
4.740-3.350 0.0560 0.0260 97.7 5.6
3.350-2.740 0.0700 0.0310 97.3 5.9
2.740-2.370 0.0950 0.0440 96.7 5.6
2.370-2.120 0.1360 0.0610 96.0 5.8
2.120-1.940 0.1700 0.0820 93.7 4.5
1.940-1.790 0.1160 0.1060 90.4 2.2
1.790-1.680 0.1590 0.1460 90.6 2.2
1.680-1.580 0.2220 0.2030 90.4 2.2
1.580-1.500 0.3220 0.2960 90.4 2.2