Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25559322a2c1a4005dd8c8efeeb90750",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.421,
"b": 82.089,
"c": 166.768,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.9700,1.960],
"number_observations_unique": 55699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 14.430
},
{
"type": "Completeness",
"value": 97.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,1.960],
"number_observations": 37758,
"number_observations_unique": 7439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 82.100
}
]
},
{
"resolution_limits": [2.220,2.080],
"number_observations": 70494,
"number_observations_unique": 8596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 4.260
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.400,2.220],
"number_observations": 65498,
"number_observations_unique": 7976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 6.760
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.620,2.400],
"number_observations": 60767,
"number_observations_unique": 7408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 10.050
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.930,2.620],
"number_observations": 54711,
"number_observations_unique": 6715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 15.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.380,2.930],
"number_observations": 47915,
"number_observations_unique": 5972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 22.830
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.110,3.380],
"number_observations": 39674,
"number_observations_unique": 5100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.860
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.740,4.110],
"number_observations": 30766,
"number_observations_unique": 4042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 35.190
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [19.9700,5.740],
"number_observations": 17617,
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 35.350
},
{
"type": "Completeness",
"value": 98.300
}
]
}
]
}