Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c350d05abc262595796d662e56383b6a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.538,
"b": 96.959,
"c": 58.119,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.060,1.720],
"number_observations": 159005,
"number_observations_unique": 25135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 5848,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "R(meas)",
"value": 0.809
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [29.060,8.920],
"number_observations": 1303,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}