Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "42e4445a8708257bf38f78598196ed3e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.505,
"b": 48.048,
"c": 70.923,
"alpha": 90.00,
"beta": 90.66,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.960,1.600],
"number_observations": 272284,
"number_observations_unique": 39686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 1879,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.753
},
{
"type": "R(meas)",
"value": 3.009
},
{
"type": "R(pim)",
"value": 1.192
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
},
{
"resolution_limits": [70.960,8.760],
"number_observations_unique": 266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}