Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f88aa4be406ddf22dde06ef9b47abc82",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.837,
"b": 56.132,
"c": 101.285,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.150,1.720],
"number_observations": 196953,
"number_observations_unique": 33734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.720],
"number_observations": 37278,
"number_observations_unique": 6032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [22.150,4.870],
"number_observations": 10425,
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}