Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e880dd432b45eef9a2fa391866892df",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.076,
"b": 64.487,
"c": 98.096,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.080,1.500],
"number_observations": 508534,
"number_observations_unique": 44303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 10816,
"number_observations_unique": 1993,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.495
},
{
"type": "R(meas)",
"value": 1.659
},
{
"type": "R(pim)",
"value": 0.691
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [43.080,8.220],
"number_observations": 3425,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}