Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98882fcdffedf7e4a66920f441d7976a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.045,
"b": 83.617,
"c": 100.242,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.240,1.200],
"number_observations": 2440330,
"number_observations_unique": 176088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 67043,
"number_observations_unique": 7342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [100.240,6.570],
"number_observations": 16225,
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}