Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcf07846c0e14b8563f26849927c9f5c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.3,
"b": 111.9,
"c": 62.4,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.44,1.450],
"number_observations_unique": 51053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 17.37
},
{
"type": "Completeness",
"value": 99.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.450],
"number_observations": 122177,
"number_observations_unique": 19040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 8.62
},
{
"type": "Completeness",
"value": 98.8
}
]
},
{
"resolution_limits": [1.900,1.700],
"number_observations": 60278,
"number_observations_unique": 8938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 15.06
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.000,1.900],
"number_observations": 19937,
"number_observations_unique": 3216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 18.51
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [3.000,2.000],
"number_observations": 91078,
"number_observations_unique": 13821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 25.14
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 23372,
"number_observations_unique": 3422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 30.35
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 10931,
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 29.12
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 3136,
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 30.85
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 1094,
"number_observations_unique": 165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 30.96
},
{
"type": "Completeness",
"value": 99.4
}
]
},
{
"resolution_limits": [12.000,10.000],
"number_observations": 472,
"number_observations_unique": 75,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 29.83
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [14.000,12.000],
"number_observations": 258,
"number_observations_unique": 43,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 29.20
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [20.000,14.000],
"number_observations": 272,
"number_observations_unique": 46,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 29.30
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [45.44,20.000],
"number_observations": 128,
"number_observations_unique": 27,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 25.32
},
{
"type": "Completeness",
"value": 87.1
}
]
}
]
}