Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "3c7ac108fa97034e4df19a6d288379cb",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.73,
"b": 81.73,
"c": 134.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.390,2.450],
"number_observations": 388098,
"number_observations_unique": 19725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 27381,
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.824
},
{
"type": "R(meas)",
"value": 1.874
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [35.390,10.960],
"number_observations": 3164,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}