Data quality metrics extracted from 4uas.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": "5f0d10a56dda5f4c2c060a839571b6d3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.805,
    "b": 70.885,
    "c": 125.433,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99987],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.971,1.2],
    "number_observations": 613035,
    "number_observations_unique": 142564,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(meas)",
        "value": 0.054
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 12.200
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 4.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.260,1.200],
      "number_observations": 74193,
      "number_observations_unique": 19182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.612
        },
        {
          "type": "R(pim)",
          "value": 0.340
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 91.200
        },
        {
          "type": "Redundancy",
          "value": 3.900
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.260],
      "number_observations": 81019,
      "number_observations_unique": 19391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.426
        },
        {
          "type": "R(pim)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 4.200
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.340],
      "number_observations": 74270,
      "number_observations_unique": 18458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(pim)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 4.000
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.430],
      "number_observations": 77553,
      "number_observations_unique": 17369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(pim)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 4.200
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.550],
      "number_observations": 71107,
      "number_observations_unique": 16096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(pim)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 6.700
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.400
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.690],
      "number_observations": 67025,
      "number_observations_unique": 14607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(pim)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 9.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.600
        }
      ]
    },
    {
      "resolution_limits": [2.190,1.890],
      "number_observations": 60088,
      "number_observations_unique": 12945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 13.100
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.600
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.190],
      "number_observations": 47598,
      "number_observations_unique": 10972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 15.400
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 4.300
        }
      ]
    },
    {
      "resolution_limits": [3.780,2.680],
      "number_observations": 39089,
      "number_observations_unique": 8618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 16.600
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.500
        }
      ]
    },
    {
      "resolution_limits": [46.971,3.780],
      "number_observations": 21093,
      "number_observations_unique": 4926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 17.200
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 4.300
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 46.971 46.971 1.340
High resolution limit [Å] 1.200 3.780 1.260
R(merge) 0.0480 0.0260 0.4260
R(meas) 0.0540 - -
R(pim) 0.0250 0.0140 0.2260
Completeness [%] 97.8 99.4 97.4
Multiplicity 4.3 4.3 4.2


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
46.971-3.780 0.0260 0.0140 99.4 4.3
3.780-2.680 0.0290 0.0150 99.5 4.5
2.680-2.190 0.0370 0.0200 99.4 4.3
2.190-1.890 0.0480 0.0250 99.5 4.6
1.890-1.690 0.0740 0.0380 99.7 4.6
1.690-1.550 0.1110 0.0580 99.6 4.4
1.550-1.430 0.1810 0.0940 99.1 4.5
1.430-1.340 0.2900 0.1580 98.4 4.0
1.340-1.260 0.4260 0.2260 97.4 4.2
1.260-1.200 0.6120 0.3400 91.2 3.9