Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e97930d2ba9713b3932c537233ea290",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.51,
"b": 149.04,
"c": 79.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.880,1.450],
"number_observations": 237687,
"number_observations_unique": 55396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.260
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.450],
"number_observations": 18975,
"number_observations_unique": 5494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.450
}
]
},
{
"resolution_limits": [1.560,1.500],
"number_observations": 19767,
"number_observations_unique": 5510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.580
}
]
},
{
"resolution_limits": [1.630,1.560],
"number_observations": 20649,
"number_observations_unique": 5485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.750
}
]
},
{
"resolution_limits": [1.720,1.630],
"number_observations": 22042,
"number_observations_unique": 5526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.960
}
]
},
{
"resolution_limits": [1.830,1.720],
"number_observations": 24204,
"number_observations_unique": 5515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.340
}
]
},
{
"resolution_limits": [1.970,1.830],
"number_observations": 25439,
"number_observations_unique": 5550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.530
}
]
},
{
"resolution_limits": [2.170,1.970],
"number_observations": 26125,
"number_observations_unique": 5551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.660
}
]
},
{
"resolution_limits": [2.480,2.170],
"number_observations": 26620,
"number_observations_unique": 5569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.750
}
]
},
{
"resolution_limits": [3.120,2.480],
"number_observations": 26945,
"number_observations_unique": 5587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.790
}
]
},
{
"resolution_limits": [19.880,3.120],
"number_observations": 26921,
"number_observations_unique": 5609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 48.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.750
}
]
}
]
}