Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9522f9e337949f87ce9ecec3bd9f751",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.364,
"b": 41.357,
"c": 72.071,
"alpha": 90.00,
"beta": 104.29,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.100,1.300],
"number_observations": 379051,
"number_observations_unique": 58865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 11606,
"number_observations_unique": 2582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [32.100,7.110],
"number_observations": 2353,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}