Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3dfb30d4b144ba08e88751375cc6ed3b",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 96.556,
"b": 96.556,
"c": 96.556,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.750,1.750],
"number_observations": 261591,
"number_observations_unique": 30290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 2940,
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.888
},
{
"type": "R(pim)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.401
}
]
},
{
"resolution_limits": [55.750,9.090],
"number_observations": 2241,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 60.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}