Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0829af23b39f5ecba961903dddbd0a08",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 120.128,
"b": 126.502,
"c": 127.374,
"alpha": 90.00,
"beta": 96.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.770],
"number_observations_unique": 351902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.77],
"number_observations_unique": 22928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.918
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations_unique": 36029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.952
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [1.99,1.91],
"number_observations_unique": 36531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.10,1.99],
"number_observations_unique": 36543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.23,2.10],
"number_observations_unique": 36560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.40,2.23],
"number_observations_unique": 36609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.64,2.40],
"number_observations_unique": 36638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.18
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.03,2.64],
"number_observations_unique": 36642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.81,3.03],
"number_observations_unique": 36715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [50.00,3.81],
"number_observations_unique": 36707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Redundancy",
"value": 3.60
}
]
}
]
}