Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26f61649ec81ef97f50da2381b7ccec8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 208.4,
"b": 446.0,
"c": 617.4,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [200,3.100],
"number_observations": 55612977,
"number_observations_unique": 1031479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 12.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 53.9
}
]
},
"refln_shells": [
{
"resolution_limits": [3.200,3.100],
"number_observations": 1576598,
"number_observations_unique": 92684,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.982
},
{
"type": "R(meas)",
"value": 4.104
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 1963173,
"number_observations_unique": 82219,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.300
},
{
"type": "R(meas)",
"value": 3.372
},
{
"type": "I/SigI",
"value": 1.350
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.500,3.300],
"number_observations": 5917613,
"number_observations_unique": 137715,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.960
},
{
"type": "R(meas)",
"value": 2.995
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.750,3.500],
"number_observations": 7125166,
"number_observations_unique": 133473,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.124
},
{
"type": "R(meas)",
"value": 2.144
},
{
"type": "I/SigI",
"value": 3.440
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.000,3.750],
"number_observations": 5377835,
"number_observations_unique": 102291,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.377
},
{
"type": "R(meas)",
"value": 1.390
},
{
"type": "I/SigI",
"value": 5.380
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 13390486,
"number_observations_unique": 234211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.689
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 7896743,
"number_observations_unique": 104004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 20.990
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.500,6.000],
"number_observations": 6128410,
"number_observations_unique": 70020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 31.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.000,7.500],
"number_observations": 3597073,
"number_observations_unique": 42828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.000,10.000],
"number_observations": 2624293,
"number_observations_unique": 31748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 78.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [200,50.000],
"number_observations": 15587,
"number_observations_unique": 286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 87.040
},
{
"type": "Completeness",
"value": 91.100
}
]
}
]
}