Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba3c0d272336f12fa147c6e98b15e249",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.90,
"b": 81.85,
"c": 110.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,1.600],
"number_observations_unique": 61305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 14.140
},
{
"type": "Completeness",
"value": 99.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.600],
"number_observations": 47180,
"number_observations_unique": 10124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.900,1.700],
"number_observations": 67424,
"number_observations_unique": 14427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.000,1.900],
"number_observations": 24208,
"number_observations_unique": 5196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 11.570
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.100,2.000],
"number_observations": 19805,
"number_observations_unique": 4254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 14.150
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations": 16320,
"number_observations_unique": 3519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 15.920
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.500,2.200],
"number_observations": 34623,
"number_observations_unique": 7524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 31124,
"number_observations_unique": 6839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 22.170
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 24017,
"number_observations_unique": 5405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 12778,
"number_observations_unique": 2826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.880
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 4163,
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 27.680
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [100,10.000],
"number_observations": 798,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 25.670
},
{
"type": "Completeness",
"value": 72.600
}
]
}
]
}