Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed427249219dbea5b3fe1f5eb850b213",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.487,
"b": 91.315,
"c": 69.680,
"alpha": 90.00,
"beta": 100.78,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.6600,2.650],
"number_observations_unique": 18384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations": 14387,
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.055
},
{
"type": "R(meas)",
"value": 1.158
},
{
"type": "R(pim)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [45.660,8.790],
"number_observations": 3194,
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}