Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fa15ae47f9b724e6fbadb22e6e8582c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.331,
"b": 128.144,
"c": 98.896,
"alpha": 90.00,
"beta": 98.17,
"gamma": 90.00
},
"wavelengths": [0.97951],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.892,2.62],
"number_observations_unique": 34129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 5.13
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
"refln_shells": [
{
"resolution_limits": [3.08,2.67],
"number_observations_unique": 4136,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.46
},
{
"type": "CC(1/2)",
"value": 0.85
}
]
},
{
"resolution_limits": [3.77,3.08],
"number_observations_unique": 9255,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "CC(1/2)",
"value": 0.94
}
]
},
{
"resolution_limits": [5.32,3.77],
"number_observations_unique": 7204,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}