Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cabba6667d5178818408816a3e53c76d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.167,
"b": 47.229,
"c": 46.314,
"alpha": 90.00,
"beta": 103.32,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.230,1.570],
"number_observations": 49657,
"number_observations_unique": 15089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 2104,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.600
},
{
"type": "R(meas)",
"value": 1.939
},
{
"type": "R(pim)",
"value": 1.081
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.321
}
]
},
{
"resolution_limits": [47.230,8.600],
"number_observations": 332,
"number_observations_unique": 102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}