Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f67b6eb0c69a6e3388eb45362c1c1eed",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 47.19,
"b": 47.19,
"c": 123.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.370,2.500],
"number_observations": 62603,
"number_observations_unique": 5260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 4903,
"number_observations_unique": 552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [33.370,9.010],
"number_observations": 1347,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}