Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76de388301bd1fb42140dea82b103809",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.946,
"b": 102.893,
"c": 100.200,
"alpha": 90.00,
"beta": 103.99,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 61714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations_unique": 6045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations_unique": 6051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.700,2.590],
"number_observations_unique": 6091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.850,2.700],
"number_observations_unique": 6118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations_unique": 6145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.260,3.020],
"number_observations_unique": 6181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.580,3.260],
"number_observations_unique": 6198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.100,3.580],
"number_observations_unique": 6262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [5.170,4.100],
"number_observations_unique": 6285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [50.000,5.170],
"number_observations_unique": 6338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}