Data quality metrics extracted from 7gsa.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": "14f08ee447871211df7f16955033be09",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 90.025,
    "b": 90.025,
    "c": 106.612,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.92819],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.932,1.720],
    "number_observations": 530495,
    "number_observations_unique": 102241,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 13.670
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.720],
      "number_observations": 85631,
      "number_observations_unique": 16476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.136
        },
        {
          "type": "R(meas)",
          "value": 1.262
        },
        {
          "type": "I/SigI",
          "value": 1.320
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.508
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.830],
      "number_observations": 77312,
      "number_observations_unique": 15590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.627
        },
        {
          "type": "R(meas)",
          "value": 0.701
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    },
    {
      "resolution_limits": [2.110,1.950],
      "number_observations": 77271,
      "number_observations_unique": 14472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "R(meas)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.940
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.110],
      "number_observations": 70444,
      "number_observations_unique": 13312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 7.860
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.310],
      "number_observations": 60913,
      "number_observations_unique": 12052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 12.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.580],
      "number_observations": 57488,
      "number_observations_unique": 10596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 20.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.650,2.980],
      "number_observations": 44950,
      "number_observations_unique": 8954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 32.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.150,3.650],
      "number_observations": 36622,
      "number_observations_unique": 6961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 45.560
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [62.932,5.150],
      "number_observations": 19864,
      "number_observations_unique": 3828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 48.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 62.932 62.932 1.950
High resolution limit [Å] 1.720 5.150 1.830
R(merge) 0.0620 0.0260 0.6270
R(meas) 0.0700 0.0290 0.7010
CC(1/2) 0.999 0.999 0.798
Completeness [%] 99.9 99.9 99.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
62.932-5.150 0.0260 0.0290 0.999 99.9
5.150-3.650 0.0320 0.0350 0.999 100.0
3.650-2.980 0.0440 0.0490 0.998 100.0
2.980-2.580 0.0740 0.0820 0.996 100.0
2.580-2.310 0.1180 0.1320 0.990 100.0
2.310-2.110 0.2030 0.2250 0.976 99.9
2.110-1.950 0.3500 0.3870 0.940 100.0
1.950-1.830 0.6270 0.7010 0.798 99.9
1.830-1.720 1.1360 1.2620 0.508 99.5