Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b46465c5fe00c5c84f54e2a3433ad296",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.402,
"b": 63.881,
"c": 74.524,
"alpha": 90.00,
"beta": 125.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.640,1.870],
"number_observations": 153080,
"number_observations_unique": 37124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.870],
"number_observations": 9395,
"number_observations_unique": 2301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.749
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [34.640,8.950],
"number_observations": 1250,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}