Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54cd5cdc32c85b9b633e0dc633242b0a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 4.805,
"b": 45.337,
"c": 11.300,
"alpha": 90.00,
"beta": 100.52,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.400],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 73.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.400],
"number_observations_unique": 57,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 28.400
},
{
"type": "Redundancy",
"value": 1.500
}
]
},
{
"resolution_limits": [1.660,1.510],
"number_observations_unique": 121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 59.300
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [1.900,1.660],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.390,1.900],
"number_observations_unique": 193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [100.000,2.390],
"number_observations_unique": 191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}