Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "885b610392152ea18bb7a54b10599a0d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.774,
"b": 144.763,
"c": 82.452,
"alpha": 90.00,
"beta": 101.27,
"gamma": 90.00
},
"wavelengths": [0.97895,0.91837,0.97941],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.254,2.13],
"number_observations_unique": 58318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.960
},
{
"type": "Completeness",
"value": 95.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.130],
"number_observations": 14623,
"number_observations_unique": 6159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 12372,
"number_observations_unique": 5278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 94.200
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 14412,
"number_observations_unique": 6130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [2.520,2.400],
"number_observations": 13800,
"number_observations_unique": 5679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [2.680,2.520],
"number_observations": 14279,
"number_observations_unique": 5960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 96.000
}
]
},
{
"resolution_limits": [2.890,2.680],
"number_observations": 13526,
"number_observations_unique": 5743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 92.700
}
]
},
{
"resolution_limits": [3.180,2.890],
"number_observations": 14551,
"number_observations_unique": 5943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [3.640,3.180],
"number_observations": 13932,
"number_observations_unique": 5769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 94.200
}
]
},
{
"resolution_limits": [4.570,3.640],
"number_observations": 14198,
"number_observations_unique": 5775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 94.800
}
]
},
{
"resolution_limits": [48.254,4.570],
"number_observations": 14117,
"number_observations_unique": 5820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 15.1
},
{
"type": "Completeness",
"value": 92.400
}
]
}
]
}