Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb329813d6a3a226c6293bc99a3ef135",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.56,
"b": 52.50,
"c": 86.01,
"alpha": 90.00,
"beta": 93.06,
"gamma": 90.00
},
"wavelengths": [0.97627],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.080,1.970],
"number_observations": 108694,
"number_observations_unique": 33218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 8399,
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.997
},
{
"type": "R(meas)",
"value": 1.184
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [47.080,8.810],
"number_observations": 1133,
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}