Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b7e2276f3b4d87c03d3856976690b48",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 225.356,
"b": 49.622,
"c": 91.725,
"alpha": 90.00,
"beta": 91.83,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.680,2.600],
"number_observations": 140103,
"number_observations_unique": 31710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 16773,
"number_observations_unique": 3800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.944
},
{
"type": "R(meas)",
"value": 1.069
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [48.680,9.010],
"number_observations": 3495,
"number_observations_unique": 831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}