Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e699c8ae7e0a754bcd6944863b3de92a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.159,
"b": 52.655,
"c": 44.500,
"alpha": 90.00,
"beta": 102.97,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.650,1.570],
"number_observations": 117587,
"number_observations_unique": 35209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 4341,
"number_observations_unique": 1680,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.186
},
{
"type": "R(meas)",
"value": 1.461
},
{
"type": "R(pim)",
"value": 0.842
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [54.650,8.600],
"number_observations": 892,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}