Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55a90a12f7217e45fec3f3811c7ed878",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 143.300,
"b": 55.446,
"c": 51.029,
"alpha": 90.00,
"beta": 100.95,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.100,1.600],
"number_observations": 138531,
"number_observations_unique": 51220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.680
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations": 11360,
"number_observations_unique": 4646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 2.440
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations": 13460,
"number_observations_unique": 5155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.610
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations": 13619,
"number_observations_unique": 5166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.630
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations": 13762,
"number_observations_unique": 5177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.650
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations": 13836,
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.660
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations": 14099,
"number_observations_unique": 5182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.680
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations": 14232,
"number_observations_unique": 5180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.720
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations": 14517,
"number_observations_unique": 5209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.770
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations": 14717,
"number_observations_unique": 5190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.820
}
]
},
{
"resolution_limits": [50.100,3.450],
"number_observations": 14929,
"number_observations_unique": 5164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.830
}
]
}
]
}