Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b7869d2518eaf090d543fc304cec643",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.64,
"b": 79.43,
"c": 100.93,
"alpha": 90.0,
"beta": 91.6,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.590,1.990],
"number_observations_unique": 71164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 36175,
"number_observations_unique": 5237,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.593
},
{
"type": "R(meas)",
"value": 1.722
},
{
"type": "R(pim)",
"value": 0.650
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [50.590,8.900],
"number_observations": 5607,
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}