Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec6b3e4ef253bf56ad825c9e96e95aa1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.308,
"b": 41.689,
"c": 72.343,
"alpha": 90.00,
"beta": 104.26,
"gamma": 90.00
},
"wavelengths": [1.30510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.110,1.600],
"number_observations": 137882,
"number_observations_unique": 29218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 3303,
"number_observations_unique": 877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(pim)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 55.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.482
}
]
},
{
"resolution_limits": [70.110,8.760],
"number_observations": 1054,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}