Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2df07ca72a6e8157d97f256587aaffe1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.48,
"b": 52.31,
"c": 101.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.950,1.600],
"number_observations": 226381,
"number_observations_unique": 35575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 17000,
"number_observations_unique": 2597,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.686
},
{
"type": "R(meas)",
"value": 1.830
},
{
"type": "R(pim)",
"value": 0.705
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [27.950,7.160],
"number_observations": 2690,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}