Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e29ee5a269ec665383b4ddba9f48f159",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.082,
"b": 27.510,
"c": 56.495,
"alpha": 90.00,
"beta": 100.04,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.650,1.150],
"number_observations": 175304,
"number_observations_unique": 31837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 145,
"number_observations_unique": 142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 1.017
},
{
"type": "R(pim)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 6.600
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [55.650,6.310],
"number_observations": 1756,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 83.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}