Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bf78a37267ef37ed716e241bbbf8ef6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 102.959,
"b": 102.959,
"c": 168.798,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.090,2.600],
"number_observations_unique": 28638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 34865,
"number_observations_unique": 3401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [46.040,9.010],
"number_observations": 7200,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}