Data quality metrics extracted from 4q9l.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": "cf2ce2181556ff63dc0173d862b84661",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 86.34,
    "b": 138.42,
    "c": 184.96,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97958],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.340,3.800],
    "number_observations": 97970,
    "number_observations_unique": 22385,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "R(meas)",
        "value": 0.066
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 10.900
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 4.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.010,3.800],
      "number_observations": 14181,
      "number_observations_unique": 3221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.696
        },
        {
          "type": "R(pim)",
          "value": 0.366
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [4.250,4.010],
      "number_observations": 13598,
      "number_observations_unique": 3074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "R(pim)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [4.540,4.250],
      "number_observations": 12833,
      "number_observations_unique": 2897,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(pim)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [4.910,4.540],
      "number_observations": 11821,
      "number_observations_unique": 2673,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(pim)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [5.370,4.910],
      "number_observations": 11010,
      "number_observations_unique": 2500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(pim)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 6.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [6.010,5.370],
      "number_observations": 9965,
      "number_observations_unique": 2272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(pim)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 7.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [6.940,6.010],
      "number_observations": 8763,
      "number_observations_unique": 2006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(pim)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 10.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [8.500,6.940],
      "number_observations": 7476,
      "number_observations_unique": 1726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 11.100
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.300
        }
      ]
    },
    {
      "resolution_limits": [12.020,8.500],
      "number_observations": 5705,
      "number_observations_unique": 1346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 17.800
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.200
        }
      ]
    },
    {
      "resolution_limits": [86.340,12.020],
      "number_observations": 2618,
      "number_observations_unique": 670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 17.200
        },
        {
          "type": "Completeness",
          "value": 84.100
        },
        {
          "type": "Redundancy",
          "value": 3.900
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 86.340 86.340 4.250
High resolution limit [Å] 3.800 12.020 4.010
R(merge) 0.0580 0.0360 0.4180
R(meas) 0.0660 - -
R(pim) 0.0310 0.0200 0.2200
Completeness [%] 99.4 84.1 99.9
Multiplicity 4.4 3.9 4.4


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
86.340-12.020 0.0360 0.0200 84.1 3.9
12.020-8.500 0.0330 0.0180 99.5 4.2
8.500-6.940 0.0510 0.0270 99.7 4.3
6.940-6.010 0.0660 0.0350 99.9 4.4
6.010-5.370 0.0890 0.0470 100.0 4.4
5.370-4.910 0.1060 0.0560 100.0 4.4
4.910-4.540 0.1420 0.0750 99.9 4.4
4.540-4.250 0.2230 0.1180 99.9 4.4
4.250-4.010 0.4180 0.2200 99.9 4.4
4.010-3.800 0.6960 0.3660 100.0 4.4