Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75e26ea222457a4c737ca069afbb7bfc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.358,
"b": 92.403,
"c": 79.230,
"alpha": 90.00,
"beta": 99.23,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.202,1.690],
"number_observations_unique": 91624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 4518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.170
},
{
"type": "R(pim)",
"value": 0.644
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [46.200,9.260],
"number_observations_unique": 551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}