Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ac17f40e4764e64a4e3cc51c53f6599",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.425,
"b": 189.693,
"c": 63.118,
"alpha": 90.00,
"beta": 98.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.850,2.790],
"number_observations": 237255,
"number_observations_unique": 33589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.790],
"number_observations": 28852,
"number_observations_unique": 4431,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.788
},
{
"type": "R(meas)",
"value": 1.944
},
{
"type": "R(pim)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.437
}
]
},
{
"resolution_limits": [94.850,9.250],
"number_observations": 6681,
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}