Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f074961ee81fd4cd5b27d60bbb2adab5",
"space_group_name": "P 41",
"unit_cell": {
"a": 106.63,
"b": 106.63,
"c": 87.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97892],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [106.63,2.600],
"number_observations_unique": 30036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 19321,
"number_observations_unique": 3675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [29.570,9.010],
"number_observations": 3486,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}