Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04623de83fe175eed3462249e31362a1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 210.1,
"b": 448.8,
"c": 621.3,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [250,3.150],
"number_observations": 83596048,
"number_observations_unique": 1000693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 15.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 83.5
}
]
},
"refln_shells": [
{
"resolution_limits": [3.250,3.150],
"number_observations": 4851142,
"number_observations_unique": 88990,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.755
},
{
"type": "R(meas)",
"value": 4.798
},
{
"type": "I/SigI",
"value": 1.190
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.400,3.250],
"number_observations": 7643842,
"number_observations_unique": 114683,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.482
},
{
"type": "R(meas)",
"value": 3.508
},
{
"type": "I/SigI",
"value": 1.940
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 5762761,
"number_observations_unique": 65980,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.918
},
{
"type": "R(meas)",
"value": 2.935
},
{
"type": "I/SigI",
"value": 2.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 20291710,
"number_observations_unique": 239783,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.459
},
{
"type": "R(meas)",
"value": 1.466
},
{
"type": "I/SigI",
"value": 5.360
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 20812327,
"number_observations_unique": 238324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 14.680
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.000,5.000],
"number_observations": 15366737,
"number_observations_unique": 159771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 31.170
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,7.000],
"number_observations": 5838466,
"number_observations_unique": 60776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 2649988,
"number_observations_unique": 28292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 65.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.000,20.000],
"number_observations": 369916,
"number_observations_unique": 3919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 76.440
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [100.000,50.000],
"number_observations": 9112,
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 55.180
},
{
"type": "Completeness",
"value": 61.500
}
]
},
{
"resolution_limits": [150.000,100.000],
"number_observations": 38,
"number_observations_unique": 8,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 13.820
},
{
"type": "Completeness",
"value": 25.800
}
]
},
{
"resolution_limits": [250,150.000],
"number_observations": 9,
"number_observations_unique": 1,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 19.310
},
{
"type": "Completeness",
"value": 6.700
}
]
}
]
}