Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34dc0ea90721545517a8ebf1d076c5aa",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 105.698,
"b": 64.214,
"c": 73.448,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97243],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.840],
"number_observations_unique": 43626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 23.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.84],
"number_observations_unique": 4198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 11.10
}
]
},
{
"resolution_limits": [1.99,1.92],
"number_observations_unique": 4297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 12.70
}
]
},
{
"resolution_limits": [2.08,1.99],
"number_observations_unique": 4313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.50
}
]
},
{
"resolution_limits": [2.19,2.08],
"number_observations_unique": 4302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 27.20
}
]
},
{
"resolution_limits": [2.33,2.19],
"number_observations_unique": 4352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 28.70
}
]
},
{
"resolution_limits": [2.51,2.33],
"number_observations_unique": 4335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 29.00
}
]
},
{
"resolution_limits": [2.76,2.51],
"number_observations_unique": 4372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 29.10
}
]
},
{
"resolution_limits": [3.16,2.76],
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 28.70
}
]
},
{
"resolution_limits": [3.99,3.16],
"number_observations_unique": 4432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 28.60
}
]
},
{
"resolution_limits": [50.00,3.99],
"number_observations_unique": 4634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 27.50
}
]
}
]
}