Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a0029a57a2d283f7c6ddc492a8e2540",
"space_group_name": "P 63",
"unit_cell": {
"a": 42.987,
"b": 42.987,
"c": 94.678,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.970,1.500],
"number_observations": 261006,
"number_observations_unique": 15915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 12693,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [19.970,8.220],
"number_observations": 1325,
"number_observations_unique": 97,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}