Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf7a826a1581ecf00586306c9c5b814e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.85,
"b": 53.14,
"c": 44.42,
"alpha": 90.00,
"beta": 102.78,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.320,2.040],
"number_observations": 60692,
"number_observations_unique": 16437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 4407,
"number_observations_unique": 1204,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.853
},
{
"type": "R(meas)",
"value": 2.176
},
{
"type": "R(pim)",
"value": 1.126
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.260
}
]
},
{
"resolution_limits": [43.320,9.120],
"number_observations": 747,
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}