Data quality metrics extracted from 4y4p.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": "8408db5c991a568965fab2dbf2cca07d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.70,
    "b": 450.05,
    "c": 624.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [312.045,2.500],
    "number_observations": 6441594,
    "number_observations_unique": 1962676,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "R(meas)",
        "value": 0.168
      },
      {
        "type": "I/SigI",
        "value": 8.270
      },
      {
        "type": "Completeness",
        "value": 97.900
      },
      {
        "type": "Redundancy",
        "value": 3.280
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.560,2.500],
      "number_observations": 329146,
      "number_observations_unique": 130706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.116
        },
        {
          "type": "R(meas)",
          "value": 1.418
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 88.500
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.560],
      "number_observations": 396384,
      "number_observations_unique": 137697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.014
        },
        {
          "type": "R(meas)",
          "value": 1.245
        },
        {
          "type": "I/SigI",
          "value": 1.140
        },
        {
          "type": "Completeness",
          "value": 95.700
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.640],
      "number_observations": 474416,
      "number_observations_unique": 139503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.901
        },
        {
          "type": "R(meas)",
          "value": 1.070
        },
        {
          "type": "I/SigI",
          "value": 1.460
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.710],
      "number_observations": 470222,
      "number_observations_unique": 135716,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.739
        },
        {
          "type": "R(meas)",
          "value": 0.875
        },
        {
          "type": "I/SigI",
          "value": 1.870
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.800],
      "number_observations": 453928,
      "number_observations_unique": 131196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.584
        },
        {
          "type": "R(meas)",
          "value": 0.692
        },
        {
          "type": "I/SigI",
          "value": 2.430
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.890],
      "number_observations": 430772,
      "number_observations_unique": 126768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.436
        },
        {
          "type": "R(meas)",
          "value": 0.518
        },
        {
          "type": "I/SigI",
          "value": 3.220
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.990],
      "number_observations": 387412,
      "number_observations_unique": 121298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "R(meas)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 4.380
        },
        {
          "type": "Completeness",
          "value": 98.500
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.100],
      "number_observations": 415624,
      "number_observations_unique": 118197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(meas)",
          "value": 0.283
        },
        {
          "type": "I/SigI",
          "value": 6.230
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.230],
      "number_observations": 393995,
      "number_observations_unique": 113082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "R(meas)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 7.720
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.370],
      "number_observations": 369325,
      "number_observations_unique": 108204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 8.870
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.540],
      "number_observations": 336732,
      "number_observations_unique": 101834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.139
        },
        {
          "type": "R(meas)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 10.380
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.730],
      "number_observations": 310613,
      "number_observations_unique": 96340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 12.260
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [4.230,3.950],
      "number_observations": 311838,
      "number_observations_unique": 91251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 14.330
        },
        {
          "type": "Completeness",
          "value": 99.000
        }
      ]
    },
    {
      "resolution_limits": [4.560,4.230],
      "number_observations": 282232,
      "number_observations_unique": 84601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 16.090
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.560],
      "number_observations": 240775,
      "number_observations_unique": 76285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 17.160
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [5.590,5.000],
      "number_observations": 237563,
      "number_observations_unique": 70551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 19.260
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [6.450,5.590],
      "number_observations": 213353,
      "number_observations_unique": 62545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 19.790
        },
        {
          "type": "Completeness",
          "value": 98.500
        }
      ]
    },
    {
      "resolution_limits": [7.910,6.450],
      "number_observations": 169311,
      "number_observations_unique": 52581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 20.990
        },
        {
          "type": "Completeness",
          "value": 97.600
        }
      ]
    },
    {
      "resolution_limits": [11.180,7.910],
      "number_observations": 144705,
      "number_observations_unique": 41652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 25.750
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [312.045,11.180],
      "number_observations": 73248,
      "number_observations_unique": 22669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 29.910
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 312.045 312.045 2.640
High resolution limit [Å] 2.500 11.180 2.560
R(merge) 0.1410 0.0240 1.0140
R(meas) 0.1680 0.0290 1.2450
Completeness [%] 97.9 95.9 95.7
Multiplicity 3.3 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
312.045-11.180 0.0240 0.0290 95.9
11.180-7.910 0.0330 0.0390 99.4
7.910-6.450 0.0460 0.0550 97.6
6.450-5.590 0.0560 0.0670 98.5
5.590-5.000 0.0620 0.0740 98.4
5.000-4.560 0.0720 0.0870 96.4
4.560-4.230 0.0840 0.1010 98.4
4.230-3.950 0.1000 0.1180 99.0
3.950-3.730 0.1150 0.1380 98.2
3.730-3.540 0.1390 0.1660 98.4
3.540-3.370 0.1660 0.1980 99.4
3.370-3.230 0.1940 0.2290 99.5
3.230-3.100 0.2390 0.2830 99.5
3.100-2.990 0.3180 0.3820 98.5
2.990-2.890 0.4360 0.5180 99.4
2.890-2.800 0.5840 0.6920 99.5
2.800-2.710 0.7390 0.8750 99.7
2.710-2.640 0.9010 1.0700 99.6
2.640-2.560 1.0140 1.2450 95.7
2.560-2.500 1.1160 1.4180 88.5