Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4dcf46957f7acb183a8b5a97bcf231a",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.133,
"b": 70.222,
"c": 85.439,
"alpha": 102.98,
"beta": 96.21,
"gamma": 112.22
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.180,2.200],
"number_observations": 200848,
"number_observations_unique": 59240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 15064,
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.478
},
{
"type": "R(meas)",
"value": 1.764
},
{
"type": "R(pim)",
"value": 0.948
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [62.180,9.600],
"number_observations": 2777,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}