Data quality metrics extracted from 3s6a.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": "b36236d001b9ba6ae9084ee37706decd",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 148.960,
    "b": 148.960,
    "c": 75.799,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.35,2.15],
    "number_observations_unique": 27218,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 18.5111
      },
      {
        "type": "Completeness",
        "value": 99.11
      },
      {
        "type": "Redundancy",
        "value": 13.65
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.15],
      "number_observations": 32385,
      "number_observations_unique": 3678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47
        },
        {
          "type": "I/SigI",
          "value": 1.60
        },
        {
          "type": "Completeness",
          "value": 93.93
        },
        {
          "type": "Redundancy",
          "value": 8.81
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.27],
      "number_observations": 52237,
      "number_observations_unique": 3721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "I/SigI",
          "value": 2.03
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.04
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.40],
      "number_observations": 51464,
      "number_observations_unique": 3517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 2.69
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.63
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.57],
      "number_observations": 48176,
      "number_observations_unique": 3280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19
        },
        {
          "type": "I/SigI",
          "value": 4.02
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.69
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.78],
      "number_observations": 44873,
      "number_observations_unique": 3046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 5.86
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.73
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.04],
      "number_observations": 40236,
      "number_observations_unique": 2748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 8.84
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.64
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.40],
      "number_observations": 35699,
      "number_observations_unique": 2451,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 8.75
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.57
        }
      ]
    },
    {
      "resolution_limits": [4.81,3.93],
      "number_observations": 30327,
      "number_observations_unique": 2108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 6.92
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.39
        }
      ]
    },
    {
      "resolution_limits": [6.80,4.81],
      "number_observations": 23424,
      "number_observations_unique": 1671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 12.79
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.02
        }
      ]
    },
    {
      "resolution_limits": [65.35,6.80],
      "number_observations": 12661,
      "number_observations_unique": 998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 21.41
        },
        {
          "type": "Completeness",
          "value": 99.91
        },
        {
          "type": "Redundancy",
          "value": 12.69
        }
      ]
    }
  ]

}
  

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


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