Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1be7d8044fd6c2dbb0764834d7f9894c",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 45.794,
"b": 55.783,
"c": 105.831,
"alpha": 90.00,
"beta": 93.63,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.700,2.500],
"number_observations": 105391,
"number_observations_unique": 18428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 11155,
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [45.700,9.020],
"number_observations": 2187,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}