Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32d43514b9081d9318a46d890bdee47b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.417,
"b": 56.529,
"c": 101.744,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.690],
"number_observations": 238474,
"number_observations_unique": 36118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.690],
"number_observations": 16810,
"number_observations_unique": 2506,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.074
},
{
"type": "R(meas)",
"value": 1.164
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [29.080,7.580],
"number_observations": 2942,
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 51.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}