Data quality metrics extracted from 6vvt.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": "094baa99db31349f9690473a9738df33",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 129.217,
    "b": 162.212,
    "c": 136.295,
    "alpha": 90.00,
    "beta": 111.36,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.900],
    "number_observations": 527429,
    "number_observations_unique": 112933,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.155
      },
      {
        "type": "R(meas)",
        "value": 0.173
      },
      {
        "type": "R(pim)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 4.900
      },
      {
        "type": "Completeness",
        "value": 96.600
      },
      {
        "type": "Redundancy",
        "value": 4.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.000,2.900],
      "number_observations_unique": 9577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.218
        },
        {
          "type": "R(meas)",
          "value": 5.922
        },
        {
          "type": "R(pim)",
          "value": 6.856
        },
        {
          "type": "Completeness",
          "value": 82.200
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.123
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.000],
      "number_observations_unique": 10855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.024
        },
        {
          "type": "R(meas)",
          "value": 2.278
        },
        {
          "type": "R(pim)",
          "value": 2.727
        },
        {
          "type": "Completeness",
          "value": 93.200
        },
        {
          "type": "Redundancy",
          "value": 4.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.263
        }
      ]
    },
    {
      "resolution_limits": [3.270,3.120],
      "number_observations_unique": 11391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.225
        },
        {
          "type": "R(meas)",
          "value": 1.373
        },
        {
          "type": "R(pim)",
          "value": 1.019
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 4.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.412
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.270],
      "number_observations_unique": 11467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.682
        },
        {
          "type": "R(meas)",
          "value": 0.757
        },
        {
          "type": "R(pim)",
          "value": 0.606
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 4.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.626
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.440],
      "number_observations_unique": 11603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.436
        },
        {
          "type": "R(meas)",
          "value": 0.486
        },
        {
          "type": "R(pim)",
          "value": 0.321
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 5.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.818
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.650],
      "number_observations_unique": 11598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "R(pim)",
          "value": 0.209
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 5.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    },
    {
      "resolution_limits": [4.330,3.940],
      "number_observations_unique": 11508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "R(pim)",
          "value": 0.109
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 4.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [4.960,4.330],
      "number_observations_unique": 11629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "R(pim)",
          "value": 0.062
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [6.240,4.960],
      "number_observations_unique": 11577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 5.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [50.000,6.240],
      "number_observations_unique": 11728,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 5.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.120
High resolution limit [Å] 2.900 6.240 3.000
R(merge) 0.1550 - 2.0240
R(meas) 0.1730 - 2.2780
R(pim) 0.0780 0.0210 2.7270
CC(1/2) - 0.999 0.263
Completeness [%] 96.6 98.8 93.2
Multiplicity 4.7 5.0 4.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-6.240 - - 0.0210 0.999 98.8 5.0
6.240-4.960 0.0440 0.0490 0.0460 0.993 98.6 5.0
4.960-4.330 0.0980 0.1090 0.0620 0.990 99.4 5.2
4.330-3.940 0.1350 0.1490 0.1090 0.971 98.5 4.8
3.940-3.650 0.2220 0.2480 0.2090 0.917 99.0 5.0
3.650-3.440 0.4360 0.4860 0.3210 0.818 99.5 5.1
3.440-3.270 0.6820 0.7570 0.6060 0.626 98.6 4.7
3.270-3.120 1.2250 1.3730 1.0190 0.412 97.7 4.4
3.120-3.000 2.0240 2.2780 2.7270 0.263 93.2 4.0
3.000-2.900 5.2180 5.9220 6.8560 0.123 82.2 3.1