Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abc9280e058c75d8ff07b31e7f93df35",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.605,
"b": 52.589,
"c": 44.578,
"alpha": 90.00,
"beta": 102.94,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.900,1.630],
"number_observations": 110832,
"number_observations_unique": 31775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 4310,
"number_observations_unique": 1519,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.461
},
{
"type": "R(meas)",
"value": 1.800
},
{
"type": "R(pim)",
"value": 1.033
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [54.900,8.930],
"number_observations": 808,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}