Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ea2888c572812b90bbfe3bd115ef7d7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.509,
"b": 109.560,
"c": 69.787,
"alpha": 90.0,
"beta": 113.2,
"gamma": 90.0
},
"wavelengths": [0.97864],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.250,2.160],
"number_observations": 261108,
"number_observations_unique": 40398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 13291,
"number_observations_unique": 3042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.656
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [46.250,8.910],
"number_observations": 3770,
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}