Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d61831d28d93e16add2f2db745bff347",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 150.545,
"b": 59.380,
"c": 141.217,
"alpha": 90.00,
"beta": 119.71,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.32,2.200],
"number_observations_unique": 55380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 29306,
"number_observations_unique": 4481,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.857
},
{
"type": "R(meas)",
"value": 2.022
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.608
}
]
},
{
"resolution_limits": [75.200,9.330],
"number_observations": 5304,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 66.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}