Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e39202940af472eb17303421460e0db2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.709,
"b": 72.363,
"c": 52.501,
"alpha": 90.00,
"beta": 104.75,
"gamma": 90.00
},
"wavelengths": [0.97944],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.560,1.400],
"number_observations": 196395,
"number_observations_unique": 53270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 6838,
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "R(meas)",
"value": 1.025
},
{
"type": "R(pim)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [41.560,7.670],
"number_observations": 1179,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 68.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}