Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3787ef3a9cad5a2b0cc9ab014e90db6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.589,
"b": 131.841,
"c": 82.440,
"alpha": 90.00,
"beta": 93.05,
"gamma": 90.00
},
"wavelengths": [0.99997],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.323,2.266],
"number_observations": 174831,
"number_observations_unique": 47726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.274,2.266],
"number_observations": 1959,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [82.323,10.512],
"number_observations": 1815,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}