Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "362a0fffefc97b8343a0f830b3c2a5c8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 92.03,
"b": 96.11,
"c": 172.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.320,1.400],
"number_observations": 1249645,
"number_observations_unique": 149766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 90645,
"number_observations_unique": 10987,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.447
},
{
"type": "R(pim)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [86.320,6.260],
"number_observations": 13716,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}