Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d49aac5aa7a966e4b8957d371f0d045a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.095,
"b": 127.222,
"c": 121.673,
"alpha": 90.00,
"beta": 102.85,
"gamma": 90.00
},
"wavelengths": [0.91770,1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations_unique": 98928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 9860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.48,2.38],
"number_observations_unique": 9788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.59,2.48],
"number_observations_unique": 9837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.73,2.59],
"number_observations_unique": 9873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [2.90,2.73],
"number_observations_unique": 9902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.12,2.90],
"number_observations_unique": 9952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [3.44,3.12],
"number_observations_unique": 10020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [3.93,3.44],
"number_observations_unique": 9555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 95.60
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [4.95,3.93],
"number_observations_unique": 10055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.20
}
]
},
{
"resolution_limits": [50.00,4.95],
"number_observations_unique": 10147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 5.10
}
]
}
]
}