Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "579ea0a62756bd5d7883f8895bd1a9e8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.102,
"b": 52.839,
"c": 61.837,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.170,1.130],
"number_observations": 755764,
"number_observations_unique": 59665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 33246,
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [40.170,6.190],
"number_observations": 4835,
"number_observations_unique": 435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}