Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "003276eeaa791e4f5d490b29cd1d3f6e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 207.979,
"b": 112.463,
"c": 188.706,
"alpha": 90.00,
"beta": 91.31,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.963,1.771],
"number_observations": 2072424,
"number_observations_unique": 295320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 95.1
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.958,1.771],
"number_observations": 101488,
"number_observations_unique": 14767,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.201
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [103.962,5.446],
"number_observations": 104609,
"number_observations_unique": 14765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.0
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}