Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "695515a15cba7f011fc221ab3f935e76",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 50.367,
"b": 4.823,
"c": 15.692,
"alpha": 90.00,
"beta": 107.89,
"gamma": 90.00
},
"wavelengths": [0.89543],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,1.500],
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.500],
"number_observations_unique": 121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.780,1.620],
"number_observations_unique": 106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.040,1.780],
"number_observations_unique": 128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.560,2.040],
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [90.000,2.560],
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}