Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47c8fc0244654e1a11cae90c196adf56",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.21,
"b": 72.28,
"c": 66.59,
"alpha": 90.00,
"beta": 103.95,
"gamma": 90.00
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.177,1.950],
"number_observations_unique": 32161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,1.950],
"number_observations": 16844,
"number_observations_unique": 4541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.180,2.060],
"number_observations": 17549,
"number_observations_unique": 4451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.330,2.180],
"number_observations": 16364,
"number_observations_unique": 4146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.520,2.330],
"number_observations": 15434,
"number_observations_unique": 3898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.760,2.520],
"number_observations": 14124,
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.080,2.760],
"number_observations": 12850,
"number_observations_unique": 3255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.560,3.080],
"number_observations": 11322,
"number_observations_unique": 2867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.360,3.560],
"number_observations": 9691,
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [6.170,4.360],
"number_observations": 7465,
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [48.177,6.170],
"number_observations": 4080,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}