Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3421c9360310cd6758870b6b2b5d6d6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 125.229,
"b": 125.229,
"c": 137.429,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.120,2.500],
"number_observations": 274231,
"number_observations_unique": 37839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 22071,
"number_observations_unique": 4110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.700
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [27.120,9.010],
"number_observations": 4766,
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}