Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5482f416217ae2a3cfa639a214ef23ad",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.235,
"b": 84.606,
"c": 87.799,
"alpha": 90.00,
"beta": 131.01,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.270,1.300],
"number_observations": 714969,
"number_observations_unique": 117089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 68.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.300],
"number_observations": 7309,
"number_observations_unique": 3222,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.135
},
{
"type": "R(meas)",
"value": 1.417
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 12.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.501
}
]
},
{
"resolution_limits": [66.270,4.110],
"number_observations": 37004,
"number_observations_unique": 5554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 91.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}