Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "829ad4e3fdeaf81ba7bb2c332c42e9f1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.35,
"b": 87.36,
"c": 217.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.760,2.390],
"number_observations": 365841,
"number_observations_unique": 48896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.390],
"number_observations": 28110,
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.484
},
{
"type": "R(meas)",
"value": 1.588
},
{
"type": "R(pim)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [54.760,10.690],
"number_observations": 4064,
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}