Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e08df651b44599cf88d0221aa024338d",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 61.765,
"b": 61.765,
"c": 242.943,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97923],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.5067],
"number_observations": 421734,
"number_observations_unique": 16298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.5067],
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.953
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.300
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.300
}
]
},
{
"resolution_limits": [2.930,2.800],
"number_observations_unique": 1497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.200
}
]
},
{
"resolution_limits": [3.080,2.930],
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.200
}
]
},
{
"resolution_limits": [3.280,3.080],
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.100
}
]
},
{
"resolution_limits": [3.530,3.280],
"number_observations_unique": 1513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.800
}
]
},
{
"resolution_limits": [3.880,3.530],
"number_observations_unique": 1534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.600
}
]
},
{
"resolution_limits": [4.450,3.880],
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.200
}
]
},
{
"resolution_limits": [5.600,4.450],
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.600
}
]
},
{
"resolution_limits": [50.000,5.600],
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 24.200
}
]
}
]
}