Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca330b3d82ddd6f485988fee490cc374",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.842,
"b": 61.528,
"c": 52.938,
"alpha": 90.0,
"beta": 106.5,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.000,1.230],
"number_observations_unique": 78633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.230],
"number_observations_unique": 3832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [43.000,6.740],
"number_observations_unique": 512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}