Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19ac279ea390df8ff959bb8d86bf076e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 168.85,
"b": 80.94,
"c": 58.29,
"alpha": 90.00,
"beta": 100.82,
"gamma": 90.00
},
"wavelengths": [1.04000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.924,1.666],
"number_observations_unique": 89214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.650],
"number_observations": 42726,
"number_observations_unique": 10649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 79.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.850,1.740],
"number_observations": 60377,
"number_observations_unique": 12698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.980,1.850],
"number_observations": 56731,
"number_observations_unique": 11881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.140,1.980],
"number_observations": 53202,
"number_observations_unique": 11077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.340,2.140],
"number_observations": 49275,
"number_observations_unique": 10228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.620,2.340],
"number_observations": 44781,
"number_observations_unique": 9254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.020,2.620],
"number_observations": 39671,
"number_observations_unique": 8178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.700,3.020],
"number_observations": 33568,
"number_observations_unique": 6912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [5.230,3.700],
"number_observations": 26101,
"number_observations_unique": 5383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [22.825,5.230],
"number_observations": 13905,
"number_observations_unique": 2954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}