Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88412970bc1087a4e8835d1a2ffbc113",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.657,
"b": 58.656,
"c": 86.676,
"alpha": 90.00,
"beta": 97.01,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.980,2.100],
"number_observations": 100763,
"number_observations_unique": 27265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "Completeness",
"value": 75.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [44.980,8.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}