Data quality metrics extracted from 4z6p.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": "74d42475dd4f7b6d0773c003e04821de",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 110.794,
    "b": 151.235,
    "c": 96.388,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.03,1.75],
    "number_observations": 722159,
    "number_observations_unique": 160940,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 12.600
      },
      {
        "type": "Completeness",
        "value": 98.800
      },
      {
        "type": "Redundancy",
        "value": 4.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.840,1.750],
      "number_observations": 104344,
      "number_observations_unique": 23455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.770
        },
        {
          "type": "R(pim)",
          "value": 0.388
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.840],
      "number_observations": 98418,
      "number_observations_unique": 22291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "R(pim)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [2.090,1.960],
      "number_observations": 94332,
      "number_observations_unique": 20908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "R(pim)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.090],
      "number_observations": 87516,
      "number_observations_unique": 19434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(pim)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [2.470,2.260],
      "number_observations": 80806,
      "number_observations_unique": 17900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(pim)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 6.200
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.470],
      "number_observations": 73270,
      "number_observations_unique": 16162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(pim)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 8.800
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.770],
      "number_observations": 64898,
      "number_observations_unique": 14306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 12.800
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.200],
      "number_observations": 53726,
      "number_observations_unique": 11924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 17.000
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [5.530,3.910],
      "number_observations": 41854,
      "number_observations_unique": 9337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 21.100
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [45.885,5.530],
      "number_observations": 22995,
      "number_observations_unique": 5223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 22.600
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.030 45.885 1.960
High resolution limit [Å] 1.750 5.530 1.840
R(merge) 0.0780 0.0280 0.4850
R(meas) 0.0880 - -
R(pim) 0.0390 0.0140 0.2450
Completeness [%] 98.8 95.3 99.8
Multiplicity 4.5 4.4 4.4


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
45.885-5.530 0.0280 0.0140 95.3 4.4
5.530-3.910 0.0310 0.0160 97.1 4.5
3.910-3.200 0.0410 0.0200 97.0 4.5
3.200-2.770 0.0570 0.0280 98.7 4.5
2.770-2.470 0.0850 0.0420 98.6 4.5
2.470-2.260 0.1210 0.0600 99.2 4.5
2.260-2.090 0.1740 0.0860 99.2 4.5
2.090-1.960 0.2880 0.1420 99.5 4.5
1.960-1.840 0.4850 0.2450 99.8 4.4
1.840-1.750 0.7700 0.3880 99.5 4.4