Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "406637667567967cedd7df1e479c5c36",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.911,
"b": 121.515,
"c": 66.278,
"alpha": 90.00,
"beta": 93.64,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.100],
"number_observations_unique": 39313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 3935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.966
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.701
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 3938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 3922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 3908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 3939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 3932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [30.00,4.52],
"number_observations_unique": 3997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Redundancy",
"value": 6.20
}
]
}
]
}