Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebaed2ec75d79dc9c0dd22614c92dbdf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.49,
"b": 59.95,
"c": 51.26,
"alpha": 90.00,
"beta": 106.88,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.980,1.400],
"number_observations": 76946,
"number_observations_unique": 33539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 3686,
"number_observations_unique": 1633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [18.980,7.670],
"number_observations": 508,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}