Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "324e8927ea8d6604c140e4a057b679a5",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 125.882,
"b": 125.882,
"c": 41.660,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.300,1.910],
"number_observations": 302407,
"number_observations_unique": 29666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 22084,
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(meas)",
"value": 0.979
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [29.300,8.540],
"number_observations": 3542,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}