Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3341d19dba27b8f2be2b8cab7a65408e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 95.19,
"b": 137.25,
"c": 160.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.000],
"number_observations_unique": 141911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 11.080
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.11
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.000],
"number_observations": 77064,
"number_observations_unique": 19146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.844
},
{
"type": "I/SigI",
"value": 2.670
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.300,2.100],
"number_observations": 123874,
"number_observations_unique": 29062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.800,2.300],
"number_observations": 172732,
"number_observations_unique": 41424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 8.420
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.300,2.800],
"number_observations": 82580,
"number_observations_unique": 20138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 14.450
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.300,3.300],
"number_observations": 70933,
"number_observations_unique": 17444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 20.680
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.900,4.300],
"number_observations": 34123,
"number_observations_unique": 8849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 24.650
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [8.000,5.900],
"number_observations": 13761,
"number_observations_unique": 3442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 26.290
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [12.000,8.000],
"number_observations": 5926,
"number_observations_unique": 1655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [50.0,12.000],
"number_observations": 2874,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 32.660
},
{
"type": "Completeness",
"value": 95.900
}
]
}
]
}