Data quality metrics extracted from 4h17.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": "865528434841b18a72f7eed9ddc4a925",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.169,
    "b": 49.348,
    "c": 156.593,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91837,0.97925,0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.973,1.60],
    "number_observations_unique": 51103,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 19.7
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.81
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.60],
      "number_observations": 14357,
      "number_observations_unique": 3751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.536
        },
        {
          "type": "R(meas)",
          "value": 0.624
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Redundancy",
          "value": 3.83
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.64],
      "number_observations": 13878,
      "number_observations_unique": 3589,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.451
        },
        {
          "type": "R(meas)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Redundancy",
          "value": 3.87
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.69],
      "number_observations": 13632,
      "number_observations_unique": 3529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "R(meas)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Redundancy",
          "value": 3.86
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.74],
      "number_observations": 13338,
      "number_observations_unique": 3449,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "R(meas)",
          "value": 0.359
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Redundancy",
          "value": 3.87
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.79],
      "number_observations": 12914,
      "number_observations_unique": 3337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "R(meas)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Redundancy",
          "value": 3.87
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.85],
      "number_observations": 12491,
      "number_observations_unique": 3225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.183
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Redundancy",
          "value": 3.87
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.91],
      "number_observations": 12088,
      "number_observations_unique": 3132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 9.8
        },
        {
          "type": "Redundancy",
          "value": 3.86
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.99],
      "number_observations": 11565,
      "number_observations_unique": 3008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Redundancy",
          "value": 3.84
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.07],
      "number_observations": 11202,
      "number_observations_unique": 2907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 14.9
        },
        {
          "type": "Redundancy",
          "value": 3.85
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.16],
      "number_observations": 10520,
      "number_observations_unique": 2742,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 18.4
        },
        {
          "type": "Redundancy",
          "value": 3.84
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.26],
      "number_observations": 10106,
      "number_observations_unique": 2645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 22.0
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.39],
      "number_observations": 9467,
      "number_observations_unique": 2491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 24.6
        },
        {
          "type": "Redundancy",
          "value": 3.80
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.53],
      "number_observations": 8943,
      "number_observations_unique": 2372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 28.8
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.71],
      "number_observations": 8221,
      "number_observations_unique": 2195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 34.2
        },
        {
          "type": "Redundancy",
          "value": 3.75
        }
      ]
    },
    {
      "resolution_limits": [3.20,2.92],
      "number_observations": 7643,
      "number_observations_unique": 2030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 44.2
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.20],
      "number_observations": 6927,
      "number_observations_unique": 1848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 54.2
        },
        {
          "type": "Redundancy",
          "value": 3.75
        }
      ]
    },
    {
      "resolution_limits": [4.13,3.58],
      "number_observations": 6137,
      "number_observations_unique": 1663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 63.2
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    },
    {
      "resolution_limits": [5.06,4.13],
      "number_observations": 5202,
      "number_observations_unique": 1404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 66.4
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [7.16,5.06],
      "number_observations": 4112,
      "number_observations_unique": 1136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 58.2
        },
        {
          "type": "Redundancy",
          "value": 3.62
        }
      ]
    },
    {
      "resolution_limits": [28.97,7.16],
      "number_observations": 2176,
      "number_observations_unique": 650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 62.9
        },
        {
          "type": "Redundancy",
          "value": 3.35
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 28.973 28.970 1.690
High resolution limit [Å] 1.600 7.160 1.640
R(merge) 0.0380 0.0230 0.4510
R(meas) - 0.0270 0.5240
Completeness [%] 99.8 - -
Multiplicity 3.8 3.4 3.9


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

Resolution [Å] R(merge) R(meas) Multiplicity
28.970-7.160 0.0230 0.0270 3.4
7.160-5.060 0.0290 0.0330 3.6
5.060-4.130 0.0230 0.0270 3.7
4.130-3.580 0.0230 0.0270 3.7
3.580-3.200 0.0280 0.0330 3.8
3.200-2.920 0.0350 0.0400 3.8
2.920-2.710 0.0450 0.0520 3.8
2.710-2.530 0.0510 0.0600 3.8
2.530-2.390 0.0560 0.0660 3.8
2.390-2.260 0.0630 0.0730 3.8
2.260-2.160 0.0740 0.0860 3.8
2.160-2.070 0.0900 0.1050 3.9
2.070-1.990 0.1090 0.1260 3.8
1.990-1.910 0.1360 0.1580 3.9
1.910-1.850 0.1830 0.2120 3.9
1.850-1.790 0.2340 0.2720 3.9
1.790-1.740 0.3090 0.3590 3.9
1.740-1.690 0.3630 0.4210 3.9
1.690-1.640 0.4510 0.5240 3.9
1.640-1.600 0.5360 0.6240 3.8