Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2ae6e4cfa8404c1743b085d973f6a15",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.72,
"b": 78.43,
"c": 56.30,
"alpha": 90.00,
"beta": 91.12,
"gamma": 90.00
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.990,1.640],
"number_observations": 190491,
"number_observations_unique": 51550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 13583,
"number_observations_unique": 3749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
},
{
"resolution_limits": [41.990,7.330],
"number_observations": 1934,
"number_observations_unique": 562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}