Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0491a5f5b8c57af589e09b1e131a2d1b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 400.609,
"b": 400.609,
"c": 175.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.000,3.3420],
"number_observations_unique": 202709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [3.470,3.342],
"number_observations_unique": 20193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.802
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations_unique": 20237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.770,3.610],
"number_observations_unique": 20213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.970,3.770],
"number_observations_unique": 20294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.220,3.970],
"number_observations_unique": 20306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.540,4.220],
"number_observations_unique": 20327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [5.000,4.540],
"number_observations_unique": 20353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [5.720,5.000],
"number_observations_unique": 20354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [7.200,5.720],
"number_observations_unique": 20336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [35.000,7.200],
"number_observations_unique": 20096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
}
]
}