Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1eb33ba60464f52b3de7eaabb44bb54c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.49,
"b": 93.60,
"c": 93.19,
"alpha": 90.00,
"beta": 107.69,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.600,1.900],
"number_observations": 251777,
"number_observations_unique": 73347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 18927,
"number_observations_unique": 5423,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.150
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "R(pim)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [93.600,8.500],
"number_observations": 3027,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 50.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}