Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6582c9e08831a5605789c3b20c01abb",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 94.485,
"b": 94.485,
"c": 287.607,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03319],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.130,1.750],
"number_observations": 1317703,
"number_observations_unique": 131523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 24785,
"number_observations_unique": 6096,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.291
},
{
"type": "R(meas)",
"value": 1.478
},
{
"type": "R(pim)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [49.130,9.590],
"number_observations": 9250,
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}