Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff61e7e32cf2b036b139e91bbc45e683",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 78.64,
"b": 96.99,
"c": 79.56,
"alpha": 90.00,
"beta": 111.53,
"gamma": 90.00
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.710],
"number_observations_unique": 93713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.820
},
{
"type": "Completeness",
"value": 78.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.710],
"number_observations": 17568,
"number_observations_unique": 6498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 0.860
},
{
"type": "Completeness",
"value": 33.900
}
]
},
{
"resolution_limits": [1.940,1.820],
"number_observations": 29487,
"number_observations_unique": 9279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 1.680
},
{
"type": "Completeness",
"value": 51.500
}
]
},
{
"resolution_limits": [2.100,1.940],
"number_observations": 47608,
"number_observations_unique": 13373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 79.800
}
]
},
{
"resolution_limits": [2.300,2.100],
"number_observations": 58482,
"number_observations_unique": 15279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 5.510
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.570,2.300],
"number_observations": 53720,
"number_observations_unique": 13878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 8.680
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.970,2.570],
"number_observations": 47588,
"number_observations_unique": 12310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 13.820
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.630,2.970],
"number_observations": 40269,
"number_observations_unique": 10420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.120,3.630],
"number_observations": 31226,
"number_observations_unique": 8102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [50,5.120],
"number_observations": 17269,
"number_observations_unique": 4574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.860
},
{
"type": "Completeness",
"value": 99.200
}
]
}
]
}