Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eaac4e51a82a505706e185faa8b2cbc0",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 45.853,
"b": 38.290,
"c": 137.315,
"alpha": 90.00,
"beta": 92.63,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [137.170,2.080],
"number_observations": 151996,
"number_observations_unique": 28863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.080],
"number_observations": 22552,
"number_observations_unique": 4153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.993
},
{
"type": "R(meas)",
"value": 1.096
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [137.170,6.590],
"number_observations": 4327,
"number_observations_unique": 974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}