Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f769b1eb8e3197d591cd58179918775",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.65,
"b": 186.52,
"c": 98.15,
"alpha": 90.0,
"beta": 94.2,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.200,1.920],
"number_observations": 579846,
"number_observations_unique": 199312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.920],
"number_observations": 26407,
"number_observations_unique": 7178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.539
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [53.200,10.520],
"number_observations": 3700,
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}