Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11e057c3a5a3afb14952115e0dc93423",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.112,
"b": 108.683,
"c": 77.971,
"alpha": 90.00,
"beta": 94.32,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.734,1.70],
"number_observations_unique": 70913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.340
},
{
"type": "Completeness",
"value": 99.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.700],
"number_observations": 51861,
"number_observations_unique": 13804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations": 52556,
"number_observations_unique": 13971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.910,1.830],
"number_observations": 51090,
"number_observations_unique": 13580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.020,1.910],
"number_observations": 57567,
"number_observations_unique": 15327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.140,2.020],
"number_observations": 49776,
"number_observations_unique": 13296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.310,2.140],
"number_observations": 53998,
"number_observations_unique": 14466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.540,2.310],
"number_observations": 51011,
"number_observations_unique": 13768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.900,2.540],
"number_observations": 50186,
"number_observations_unique": 13715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.660,2.900],
"number_observations": 49318,
"number_observations_unique": 13959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 19.6
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [28.734,3.660],
"number_observations": 50567,
"number_observations_unique": 13724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 96.900
}
]
}
]
}