Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00ff6fc2ab506df41ac9967b8a71fdf6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.703,
"b": 41.597,
"c": 236.878,
"alpha": 90.00,
"beta": 92.52,
"gamma": 90.00
},
"wavelengths": [0.91837,0.98021,0.97963],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.581,2.19],
"number_observations_unique": 29857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.960
},
{
"type": "Completeness",
"value": 93.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.210],
"number_observations": 10767,
"number_observations_unique": 5529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 94.200
}
]
},
{
"resolution_limits": [2.380,2.290],
"number_observations": 10973,
"number_observations_unique": 5661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [2.490,2.380],
"number_observations": 11013,
"number_observations_unique": 5683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 11068,
"number_observations_unique": 5639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [2.780,2.620],
"number_observations": 11039,
"number_observations_unique": 5587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [3.000,2.780],
"number_observations": 11123,
"number_observations_unique": 5717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [3.300,3.000],
"number_observations": 10435,
"number_observations_unique": 5415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 92.700
}
]
},
{
"resolution_limits": [3.770,3.300],
"number_observations": 10465,
"number_observations_unique": 5304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 18.9
},
{
"type": "Completeness",
"value": 89.400
}
]
},
{
"resolution_limits": [4.740,3.770],
"number_observations": 10221,
"number_observations_unique": 5232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.0
},
{
"type": "Completeness",
"value": 88.700
}
]
},
{
"resolution_limits": [29.581,4.740],
"number_observations": 10560,
"number_observations_unique": 5413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.2
},
{
"type": "Completeness",
"value": 89.800
}
]
}
]
}