Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d91e39b6e4355411daa6971d64007a88",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.855,
"b": 81.348,
"c": 121.845,
"alpha": 90.000,
"beta": 102.142,
"gamma": 90.000
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.010,2.200],
"number_observations": 401958,
"number_observations_unique": 57200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 31908,
"number_observations_unique": 4473,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.308
},
{
"type": "R(meas)",
"value": 2.490
},
{
"type": "R(pim)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [48.010,9.590],
"number_observations": 4973,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}