Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "528849be8acee8e5e1add898e894c8b7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.771,
"b": 87.846,
"c": 73.869,
"alpha": 90.0,
"beta": 103.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.920,2.100],
"number_observations": 96712,
"number_observations_unique": 28505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 5260,
"number_observations_unique": 2024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "R(pim)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [43.920,8.900],
"number_observations": 1384,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}