Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "150107cd23200f6fb9796b2a33f1b2b2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 75.09,
"b": 101.53,
"c": 86.36,
"alpha": 90.00,
"beta": 92.93,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.840,1.850],
"number_observations": 169195,
"number_observations_unique": 54750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 9078,
"number_observations_unique": 3371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [24.840,9.060],
"number_observations": 1074,
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 76.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}