Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18cd4d088b011d8467efc19f0f957cfe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.43,
"b": 79.07,
"c": 89.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.070,1.520],
"number_observations": 411666,
"number_observations_unique": 68621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 21551,
"number_observations_unique": 4986,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.209
},
{
"type": "R(meas)",
"value": 1.380
},
{
"type": "R(pim)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [79.070,6.800],
"number_observations": 5182,
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}