Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c12785bf916aed871973672f789be85e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.863,
"b": 53.714,
"c": 44.311,
"alpha": 90.00,
"beta": 101.11,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.890,1.690],
"number_observations": 101267,
"number_observations_unique": 29330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 4254,
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.512
},
{
"type": "R(meas)",
"value": 1.835
},
{
"type": "R(pim)",
"value": 1.023
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.339
}
]
},
{
"resolution_limits": [55.890,9.100],
"number_observations": 792,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}