Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2581ce4c59024aa0020d861fa2c92cf0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.66,
"b": 45.35,
"c": 83.36,
"alpha": 90.00,
"beta": 102.23,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.730,1.620],
"number_observations": 201236,
"number_observations_unique": 56431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 15404,
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [40.730,7.240],
"number_observations": 2410,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}