Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86b771564e70cc27bacc22512670a427",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.645,
"b": 50.942,
"c": 67.733,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.713,1.086],
"number_observations_unique": 51757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.090],
"number_observations": 24085,
"number_observations_unique": 2448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.698
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [40.710,5.950],
"number_observations": 4035,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}