Data quality metrics extracted from 3hhs.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": "9961147ab2143c99ee60f6ba59d8fb12",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 148.832,
    "b": 153.664,
    "c": 75.763,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.97],
    "number_observations_unique": 121340,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 28.646
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 8.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.97],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.928
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.60
        }
      ]
    },
    {
      "resolution_limits": [2.07,2.03],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.810
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.20
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.07],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.716
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.11],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.601
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [2.20,2.15],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.522
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.462
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.31],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.340
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.37],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.299
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.44],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.251
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.52],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.61],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.71],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.84],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.99],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [3.42,3.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.42],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.20
        }
      ]
    },
    {
      "resolution_limits": [4.31,3.76],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.10
        }
      ]
    },
    {
      "resolution_limits": [5.43,4.31],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.90
        }
      ]
    },
    {
      "resolution_limits": [50.00,5.43],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "Completeness",
          "value": 99.20
        },
        {
          "type": "Redundancy",
          "value": 7.90
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.070
High resolution limit [Å] 1.970 5.430 2.030
R(merge) 0.1050 0.0380 0.8100
Completeness [%] 100.0 99.2 100.0
Multiplicity 8.3 7.9 8.2


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-5.430 0.0380 99.2 7.9
5.430-4.310 0.0500 100.0 7.9
4.310-3.760 0.0670 100.0 8.1
3.760-3.420 0.0750 100.0 8.2
3.420-3.170 0.0820 100.0 8.4
3.170-2.990 0.0990 100.0 8.4
2.990-2.840 0.1240 100.0 8.5
2.840-2.710 0.1480 100.0 8.5
2.710-2.610 0.1860 100.0 8.5
2.610-2.520 0.2130 100.0 8.5
2.520-2.440 0.2510 100.0 8.5
2.440-2.370 0.2990 100.0 8.5
2.370-2.310 0.3400 100.0 8.5
2.310-2.250 0.3820 100.0 8.5
2.250-2.200 0.4620 100.0 8.5
2.200-2.150 0.5220 100.0 8.5
2.150-2.110 0.6010 100.0 8.4
2.110-2.070 0.7160 100.0 8.4
2.070-2.030 0.8100 100.0 8.2
2.030-1.970 0.9280 100.0 7.6