Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73305fcf04400fde083a4a86fbaeb48d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.24,
"b": 73.04,
"c": 52.52,
"alpha": 90.0,
"beta": 109.5,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.52,1.14],
"number_observations": 278662,
"number_observations_unique": 95899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.25
},
{
"type": "Completeness",
"value": 82.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.21,1.14],
"number_observations": 33269,
"number_observations_unique": 12791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.47
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 2.78
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [1.3,1.21],
"number_observations": 32699,
"number_observations_unique": 12681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.39
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.30
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [1.4,1.30],
"number_observations": 35002,
"number_observations_unique": 12925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 4.44
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [1.54,1.40],
"number_observations": 35043,
"number_observations_unique": 12559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 6.14
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.72,1.54],
"number_observations": 34601,
"number_observations_unique": 11963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 8.11
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.98,1.72],
"number_observations": 36006,
"number_observations_unique": 11263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 10.47
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.43,1.98],
"number_observations": 30639,
"number_observations_unique": 9676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 11.61
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.42,2.43],
"number_observations": 26810,
"number_observations_unique": 7725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 12.83
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}