Data quality metrics extracted from 4ro5.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": "71a2b43a0ea7d6968d5b7d922a40a1ea",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.13,
    "b": 52.16,
    "c": 163.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.94200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.54,1.600],
    "number_observations_unique": 48603,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 11.530
      },
      {
        "type": "Completeness",
        "value": 92.700
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.640,1.600],
      "number_observations": 10668,
      "number_observations_unique": 6112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "I/SigI",
          "value": 2.980
        },
        {
          "type": "Completeness",
          "value": 88.100
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.640],
      "number_observations": 11621,
      "number_observations_unique": 6501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 3.420
        },
        {
          "type": "Completeness",
          "value": 95.400
        }
      ]
    },
    {
      "resolution_limits": [1.730,1.680],
      "number_observations": 11239,
      "number_observations_unique": 6278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 4.050
        },
        {
          "type": "Completeness",
          "value": 94.500
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.730],
      "number_observations": 10587,
      "number_observations_unique": 6017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 4.850
        },
        {
          "type": "Completeness",
          "value": 93.800
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.790],
      "number_observations": 9800,
      "number_observations_unique": 5685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 5.640
        },
        {
          "type": "Completeness",
          "value": 92.700
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.850],
      "number_observations": 10459,
      "number_observations_unique": 5710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 6.900
        },
        {
          "type": "Completeness",
          "value": 95.200
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.910],
      "number_observations": 10101,
      "number_observations_unique": 5559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 8.400
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    },
    {
      "resolution_limits": [2.060,1.980],
      "number_observations": 9495,
      "number_observations_unique": 5293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 10.100
        },
        {
          "type": "Completeness",
          "value": 95.100
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.060],
      "number_observations": 8579,
      "number_observations_unique": 4867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 11.780
        },
        {
          "type": "Completeness",
          "value": 90.900
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.160],
      "number_observations": 8354,
      "number_observations_unique": 4788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 13.380
        },
        {
          "type": "Completeness",
          "value": 93.100
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.260],
      "number_observations": 8343,
      "number_observations_unique": 4550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 15.110
        },
        {
          "type": "Completeness",
          "value": 94.500
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.380],
      "number_observations": 7863,
      "number_observations_unique": 4307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 15.830
        },
        {
          "type": "Completeness",
          "value": 93.200
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.530],
      "number_observations": 7193,
      "number_observations_unique": 4010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 17.400
        },
        {
          "type": "Completeness",
          "value": 92.500
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.700],
      "number_observations": 6339,
      "number_observations_unique": 3598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 18.870
        },
        {
          "type": "Completeness",
          "value": 90.100
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.920],
      "number_observations": 6506,
      "number_observations_unique": 3454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 21.860
        },
        {
          "type": "Completeness",
          "value": 93.400
        }
      ]
    },
    {
      "resolution_limits": [3.570,3.200],
      "number_observations": 5631,
      "number_observations_unique": 3024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 23.920
        },
        {
          "type": "Completeness",
          "value": 90.200
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.570],
      "number_observations": 4596,
      "number_observations_unique": 2567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 25.170
        },
        {
          "type": "Completeness",
          "value": 87.400
        }
      ]
    },
    {
      "resolution_limits": [5.050,4.130],
      "number_observations": 4314,
      "number_observations_unique": 2258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 26.990
        },
        {
          "type": "Completeness",
          "value": 89.900
        }
      ]
    },
    {
      "resolution_limits": [7.150,5.050],
      "number_observations": 3330,
      "number_observations_unique": 1724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 25.670
        },
        {
          "type": "Completeness",
          "value": 89.000
        }
      ]
    },
    {
      "resolution_limits": [81.54,7.150],
      "number_observations": 1765,
      "number_observations_unique": 924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 27.880
        },
        {
          "type": "Completeness",
          "value": 86.700
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 81.540 81.540 1.680
High resolution limit [Å] 1.600 7.150 1.640
R(merge) 0.0470 0.0210 0.2360
Completeness [%] 92.7 86.7 95.4
Multiplicity 1.8 - -


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

Resolution [Å] R(merge) Completeness [%]
81.540-7.150 0.0210 86.7
7.150-5.050 0.0250 89.0
5.050-4.130 0.0250 89.9
4.130-3.570 0.0260 87.4
3.570-3.200 0.0300 90.2
3.200-2.920 0.0320 93.4
2.920-2.700 0.0390 90.1
2.700-2.530 0.0440 92.5
2.530-2.380 0.0480 93.2
2.380-2.260 0.0520 94.5
2.260-2.160 0.0580 93.1
2.160-2.060 0.0660 90.9
2.060-1.980 0.0780 95.1
1.980-1.910 0.0960 94.8
1.910-1.850 0.1170 95.2
1.850-1.790 0.1350 92.7
1.790-1.730 0.1620 93.8
1.730-1.680 0.2030 94.5
1.680-1.640 0.2360 95.4
1.640-1.600 0.2640 88.1