Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "158807352d1c15d28953df116ed9fb42",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.250,
"b": 52.872,
"c": 44.476,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.670,1.800],
"number_observations": 86038,
"number_observations_unique": 23659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4821,
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.544
},
{
"type": "R(meas)",
"value": 1.826
},
{
"type": "R(pim)",
"value": 0.961
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.333
}
]
},
{
"resolution_limits": [54.670,9.000],
"number_observations": 793,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}