Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "445d824e3bd581f60daac48326590391",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.035,
"b": 63.452,
"c": 63.477,
"alpha": 90.03,
"beta": 89.99,
"gamma": 89.99
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.650],
"number_observations_unique": 79424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations_unique": 7752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.780,1.710],
"number_observations_unique": 7787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.860,1.780],
"number_observations_unique": 7769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [1.960,1.860],
"number_observations_unique": 7892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations_unique": 7975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.240,2.080],
"number_observations_unique": 7886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.460,2.240],
"number_observations_unique": 8015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.820,2.460],
"number_observations_unique": 8053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.550,2.820],
"number_observations_unique": 8112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [50.000,3.550],
"number_observations_unique": 8183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}