Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22466bdc1ad90f0c1af9a5ab35b650fc",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 69.149,
"b": 69.149,
"c": 96.024,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.050],
"number_observations": 1789101,
"number_observations_unique": 106973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 16.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.090,1.050],
"number_observations_unique": 9017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.130,1.090],
"number_observations_unique": 10716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [1.180,1.130],
"number_observations_unique": 10715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
}
]
},
{
"resolution_limits": [1.240,1.180],
"number_observations_unique": 10766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
}
]
},
{
"resolution_limits": [1.320,1.240],
"number_observations_unique": 10769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
}
]
},
{
"resolution_limits": [1.430,1.320],
"number_observations_unique": 10805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
}
]
},
{
"resolution_limits": [1.570,1.430],
"number_observations_unique": 10854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
}
]
},
{
"resolution_limits": [1.800,1.570],
"number_observations_unique": 10903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
}
]
},
{
"resolution_limits": [2.260,1.800],
"number_observations_unique": 10997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
}
]
},
{
"resolution_limits": [50.000,2.260],
"number_observations_unique": 11431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 18.100
}
]
}
]
}