Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8da678e320b9853bec3e969fc3022dc",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.38,
"b": 47.68,
"c": 47.79,
"alpha": 76.73,
"beta": 69.27,
"gamma": 61.48
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.570,1.550],
"number_observations_unique": 47120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 15221,
"number_observations_unique": 6818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.23
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.619
}
]
},
{
"resolution_limits": [44.570,4.900],
"number_observations": 3443,
"number_observations_unique": 1521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.24
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}