Data quality metrics extracted from 4rzs.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": "7dcae6c4783b9bcc01c4fd2dbf63db96",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 91.09,
    "b": 111.60,
    "c": 189.33,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.49,2.710],
    "number_observations_unique": 36390,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 15.190
      },
      {
        "type": "Completeness",
        "value": 68.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.780,2.710],
      "number_observations": 713,
      "number_observations_unique": 119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.461
        },
        {
          "type": "I/SigI",
          "value": 3.870
        },
        {
          "type": "Completeness",
          "value": 3.100
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.780],
      "number_observations": 2093,
      "number_observations_unique": 354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 3.660
        },
        {
          "type": "Completeness",
          "value": 9.300
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.850],
      "number_observations": 3934,
      "number_observations_unique": 640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "I/SigI",
          "value": 4.180
        },
        {
          "type": "Completeness",
          "value": 17.200
        }
      ]
    },
    {
      "resolution_limits": [3.030,2.940],
      "number_observations": 5882,
      "number_observations_unique": 926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.464
        },
        {
          "type": "I/SigI",
          "value": 4.590
        },
        {
          "type": "Completeness",
          "value": 26.000
        }
      ]
    },
    {
      "resolution_limits": [3.130,3.030],
      "number_observations": 8784,
      "number_observations_unique": 1345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.491
        },
        {
          "type": "I/SigI",
          "value": 4.520
        },
        {
          "type": "Completeness",
          "value": 38.500
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.130],
      "number_observations": 12743,
      "number_observations_unique": 1907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 4.860
        },
        {
          "type": "Completeness",
          "value": 56.800
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.240],
      "number_observations": 19051,
      "number_observations_unique": 2874,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "I/SigI",
          "value": 4.430
        },
        {
          "type": "Completeness",
          "value": 88.200
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.360],
      "number_observations": 19136,
      "number_observations_unique": 3143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 5.410
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.490],
      "number_observations": 20888,
      "number_observations_unique": 3018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 7.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.830,3.650],
      "number_observations": 19640,
      "number_observations_unique": 2872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 10.310
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.040,3.830],
      "number_observations": 18387,
      "number_observations_unique": 2747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 13.920
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.280,4.040],
      "number_observations": 16901,
      "number_observations_unique": 2613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 17.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.580,4.280],
      "number_observations": 14318,
      "number_observations_unique": 2456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 20.900
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [4.940,4.580],
      "number_observations": 15062,
      "number_observations_unique": 2295,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 23.750
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [5.410,4.940],
      "number_observations": 13894,
      "number_observations_unique": 2123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 24.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [6.050,5.410],
      "number_observations": 12421,
      "number_observations_unique": 1931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 25.260
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.990,6.050],
      "number_observations": 9892,
      "number_observations_unique": 1722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 26.580
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [8.560,6.990],
      "number_observations": 9350,
      "number_observations_unique": 1468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 32.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [12.110,8.560],
      "number_observations": 6958,
      "number_observations_unique": 1158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 33.950
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [94.49,12.110],
      "number_observations": 3785,
      "number_observations_unique": 679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 32.710
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 94.490 94.490 2.850
High resolution limit [Å] 2.710 12.110 2.780
R(merge) 0.0690 0.0400 0.5040
Completeness [%] 68.2 98.4 9.3


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

Resolution [Å] R(merge) Completeness [%]
94.490-12.110 0.0400 98.4
12.110-8.560 0.0410 99.7
8.560-6.990 0.0430 99.9
6.990-6.050 0.0500 99.6
6.050-5.410 0.0600 99.9
5.410-4.940 0.0620 100.0
4.940-4.580 0.0620 99.9
4.580-4.280 0.0650 99.6
4.280-4.040 0.0890 100.0
4.040-3.830 0.1210 99.8
3.830-3.650 0.1650 99.8
3.650-3.490 0.2490 100.0
3.490-3.360 0.3610 99.6
3.360-3.240 0.4930 88.2
3.240-3.130 0.4540 56.8
3.130-3.030 0.4910 38.5
3.030-2.940 0.4640 26.0
2.940-2.850 0.4920 17.2
2.850-2.780 0.5040 9.3
2.780-2.710 0.4610 3.1