Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97e827168accdeb4b4c90764307a6396",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.522,
"b": 58.607,
"c": 66.831,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.0640,1.310],
"number_observations_unique": 51246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 23.170
},
{
"type": "Completeness",
"value": 98.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.310],
"number_observations": 59955,
"number_observations_unique": 8042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 10.810
},
{
"type": "Completeness",
"value": 96.500
}
]
},
{
"resolution_limits": [1.480,1.390],
"number_observations": 57075,
"number_observations_unique": 7632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 14.320
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [1.600,1.480],
"number_observations": 53414,
"number_observations_unique": 7128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 18.340
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [1.760,1.600],
"number_observations": 49443,
"number_observations_unique": 6634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [1.960,1.760],
"number_observations": 44906,
"number_observations_unique": 6057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.520
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.270,1.960],
"number_observations": 39487,
"number_observations_unique": 5393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 31.980
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.770,2.270],
"number_observations": 33282,
"number_observations_unique": 4609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 34.580
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.910,2.770],
"number_observations": 25761,
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 36.680
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [44.0640,3.910],
"number_observations": 14145,
"number_observations_unique": 2115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 36.910
},
{
"type": "Completeness",
"value": 99.700
}
]
}
]
}