Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "295fd230b7bdaa6e6de63a54c9e8725a",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.116,
"b": 70.245,
"c": 85.683,
"alpha": 102.81,
"beta": 96.39,
"gamma": 112.15
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.510,2.130],
"number_observations": 228066,
"number_observations_unique": 66240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.130],
"number_observations": 15158,
"number_observations_unique": 4257,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.619
},
{
"type": "R(meas)",
"value": 1.906
},
{
"type": "R(pim)",
"value": 0.995
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [81.510,9.980],
"number_observations": 2489,
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}