Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42d79f112579a61bfd5eb7dd20aaeec3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.745,
"b": 99.578,
"c": 142.001,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.92,2.570],
"number_observations_unique": 35696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.570],
"number_observations": 27287,
"number_observations_unique": 4139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.878
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [28.910,8.900],
"number_observations": 5650,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}