Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09d8b15b2f22f4df36ede7bd4722410b",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 53.730,
"b": 110.353,
"c": 38.869,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.730,1.270],
"number_observations": 388559,
"number_observations_unique": 61883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 16602,
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.305
},
{
"type": "R(meas)",
"value": 1.447
},
{
"type": "R(pim)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [53.730,6.960],
"number_observations": 2311,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}