Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e057f2ac594f690d272a98a57f684e3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 92.764,
"b": 127.402,
"c": 96.640,
"alpha": 90.00,
"beta": 100.89,
"gamma": 90.00
},
"wavelengths": [1.00100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.987,2.700],
"number_observations_unique": 60631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.700],
"number_observations": 33861,
"number_observations_unique": 8825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations": 32001,
"number_observations_unique": 8350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations": 30111,
"number_observations_unique": 7837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations": 28050,
"number_observations_unique": 7301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations": 25922,
"number_observations_unique": 6738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations": 23476,
"number_observations_unique": 6105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations": 20634,
"number_observations_unique": 5377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations": 17547,
"number_observations_unique": 4582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations": 13464,
"number_observations_unique": 3542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [47.987,8.540],
"number_observations": 7218,
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}