Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0da0a5ac810294f213a186c1fc3bb91a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.67,
"b": 109.88,
"c": 110.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.670,2.000],
"number_observations": 368548,
"number_observations_unique": 52166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 25412,
"number_observations_unique": 3744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.572
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [62.670,8.940],
"number_observations": 4758,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}