Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "790c073af92fa5ca5b8d4ecde4b67c99",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 72.100,
"b": 77.109,
"c": 75.445,
"alpha": 90.00,
"beta": 110.71,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.660,1.860],
"number_observations": 219235,
"number_observations_unique": 63807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 12626,
"number_observations_unique": 3788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [47.660,9.110],
"number_observations": 2028,
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}