Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3680a28bccb449460715887c5074bc8e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.376,
"b": 106.338,
"c": 82.806,
"alpha": 90.00,
"beta": 96.45,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.300,1.320],
"number_observations": 918063,
"number_observations_unique": 245312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 38046,
"number_observations_unique": 11964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "R(meas)",
"value": 0.790
},
{
"type": "R(pim)",
"value": 0.436
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [51.300,7.200],
"number_observations": 5647,
"number_observations_unique": 1552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}