Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b43de7169eb9810c28e99eb5bb468dd1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 126.448,
"b": 61.776,
"c": 76.091,
"alpha": 90.00,
"beta": 126.56,
"gamma": 90.00
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.950],
"number_observations_unique": 32704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 3175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "Completeness",
"value": 92.80
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 3167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 93.20
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations_unique": 3231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 93.40
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations_unique": 3211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 94.50
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 3283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 94.70
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 3259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 3298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 96.00
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [4.19,3.33],
"number_observations_unique": 3341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [20.00,4.19],
"number_observations_unique": 3395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 3.00
}
]
}
]
}