Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe4868dda63e2492f0a052e8eab92fe1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.884,
"b": 71.752,
"c": 52.992,
"alpha": 90.00,
"beta": 100.96,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.030,1.750],
"number_observations": 96630,
"number_observations_unique": 31622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 5370,
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.492
},
{
"type": "R(meas)",
"value": 1.800
},
{
"type": "R(pim)",
"value": 0.992
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [52.030,9.090],
"number_observations": 692,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}