Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4961536a00e10ba2e1b7ae10b1fe2310",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.090,
"b": 52.513,
"c": 44.384,
"alpha": 90.00,
"beta": 102.94,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.730,1.590],
"number_observations": 114424,
"number_observations_unique": 33638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.590],
"number_observations": 4591,
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.416
},
{
"type": "R(meas)",
"value": 1.759
},
{
"type": "R(pim)",
"value": 1.021
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [54.730,8.570],
"number_observations": 879,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}