Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "346da620a42efaaeb2b3c0c86680f354",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.094,
"b": 70.181,
"c": 85.187,
"alpha": 103.00,
"beta": 95.97,
"gamma": 112.29
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.130,2.060],
"number_observations": 248580,
"number_observations_unique": 72486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.060],
"number_observations": 15503,
"number_observations_unique": 4379,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.761
},
{
"type": "R(meas)",
"value": 2.086
},
{
"type": "R(pim)",
"value": 1.104
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [81.130,10.090],
"number_observations": 2366,
"number_observations_unique": 629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
}
]
}