Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45265f09a7c54188d2d3280b0f9975d1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.55,
"b": 79.10,
"c": 89.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.640,1.290],
"number_observations": 707820,
"number_observations_unique": 111853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 42151,
"number_observations_unique": 8154,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.481
},
{
"type": "R(meas)",
"value": 1.652
},
{
"type": "R(pim)",
"value": 0.720
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.375
}
]
},
{
"resolution_limits": [44.640,5.770],
"number_observations": 8897,
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}