Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32d822c0e125ad31400fdfc2107d36ff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.27,
"b": 117.78,
"c": 85.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97942,0.95369,0.97941],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.803,1.579],
"number_observations_unique": 83319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 20.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.580],
"number_observations": 137780,
"number_observations_unique": 11097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations": 251273,
"number_observations_unique": 11561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.700
}
]
},
{
"resolution_limits": [1.890,1.760],
"number_observations": 237493,
"number_observations_unique": 10842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.900
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations": 221571,
"number_observations_unique": 10147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [2.230,2.040],
"number_observations": 203995,
"number_observations_unique": 9349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [2.500,2.230],
"number_observations": 184885,
"number_observations_unique": 8487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [2.880,2.500],
"number_observations": 162853,
"number_observations_unique": 7532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
{
"resolution_limits": [3.530,2.880],
"number_observations": 136677,
"number_observations_unique": 6410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.300
}
]
},
{
"resolution_limits": [4.990,3.530],
"number_observations": 104014,
"number_observations_unique": 5034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.700
}
]
},
{
"resolution_limits": [19.880,4.990],
"number_observations": 58871,
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 20.600
}
]
}
]
}