Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab8fee2ece0c894033fc471af95372d2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 131.701,
"b": 50.538,
"c": 62.931,
"alpha": 90.00,
"beta": 108.46,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 13729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations_unique": 671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.690,2.640],
"number_observations_unique": 676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.750,2.690],
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.820,2.750],
"number_observations_unique": 685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.890,2.820],
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.960,2.890],
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.050,2.960],
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.150,3.050],
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.260,3.150],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.390,3.260],
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.550,3.390],
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.730,3.550],
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.970,3.730],
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.270,3.970],
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.700,4.270],
"number_observations_unique": 701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [5.380,4.700],
"number_observations_unique": 700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [6.780,5.380],
"number_observations_unique": 698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [50.000,6.780],
"number_observations_unique": 701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}