Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e12a09cabfb96022e37aaeed820b903",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.125,
"b": 46.455,
"c": 62.949,
"alpha": 90.00,
"beta": 111.94,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.460,1.500],
"number_observations": 262057,
"number_observations_unique": 50049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 12255,
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [46.460,8.220],
"number_observations": 1632,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 53.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}