Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9407409b7f8817814e52458d5a00f23e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 94.88,
"b": 94.88,
"c": 167.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.170,2.080],
"number_observations": 622973,
"number_observations_unique": 53073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.080],
"number_observations": 47725,
"number_observations_unique": 3869,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.963
},
{
"type": "R(meas)",
"value": 2.047
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.616
}
]
},
{
"resolution_limits": [46.170,9.300],
"number_observations": 6521,
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 52.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}