Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "debf4b47b4a047f6f81887f6fb5726cc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.32,
"b": 94.34,
"c": 101.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.000,2.100],
"number_observations_unique": 42955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations_unique": 4242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 4319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations_unique": 4295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.490,2.360],
"number_observations_unique": 4306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.640,2.490],
"number_observations_unique": 4299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.850,2.640],
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.130,2.850],
"number_observations_unique": 4297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [3.580,3.130],
"number_observations_unique": 4284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [4.490,3.580],
"number_observations_unique": 4287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [15.000,4.490],
"number_observations_unique": 4334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 94.100
}
]
}
]
}