Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f6a591fc174839cc2dc43a9553c634c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 48.904,
"b": 114.293,
"c": 164.160,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.050,1.1796],
"number_observations_unique": 41771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 22431,
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.733
},
{
"type": "R(meas)",
"value": 3.940
},
{
"type": "R(pim)",
"value": 1.242
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [82.050,9.090],
"number_observations": 4005,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}