Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f348ff31aeb694ce54099c492cafb70e",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 73.366,
"b": 73.366,
"c": 146.622,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 51809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations_unique": 5184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations_unique": 5197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations_unique": 5223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations_unique": 5157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations_unique": 5198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations_unique": 5171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations_unique": 5153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations_unique": 5189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations_unique": 5151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [50.000,3.450],
"number_observations_unique": 5186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}