Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87d284dac937b7bdbb03def8355a2455",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.11,
"b": 89.59,
"c": 100.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.480,1.550],
"number_observations": 519536,
"number_observations_unique": 42917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 22475,
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.961
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [36.480,6.930],
"number_observations": 6280,
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 69.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}