Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4a5d5da1aa3e63e3579e60e3114e07e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.042,
"b": 86.335,
"c": 107.658,
"alpha": 90.00,
"beta": 91.62,
"gamma": 90.00
},
"wavelengths": [1.07210],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.060,1.750],
"number_observations": 409549,
"number_observations_unique": 111650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 18928,
"number_observations_unique": 5523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [40.060,9.590],
"number_observations": 2421,
"number_observations_unique": 694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}