Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a60ead4cd9f4357ab2157ba0f77f7a6d",
"space_group_name": "P 63",
"unit_cell": {
"a": 109.82,
"b": 109.82,
"c": 122.67,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97960,0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.7],
"number_observations_unique": 92056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.780
},
{
"type": "Completeness",
"value": 92.8
},
{
"type": "Redundancy",
"value": 5.65
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations": 41778,
"number_observations_unique": 14447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "I/SigI",
"value": 1.510
},
{
"type": "Completeness",
"value": 80.4
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations": 44965,
"number_observations_unique": 15413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 1.850
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations": 45208,
"number_observations_unique": 15518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 2.360
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations": 52995,
"number_observations_unique": 18221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 3.270
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations": 47199,
"number_observations_unique": 16245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 4.460
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations": 52163,
"number_observations_unique": 17945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 5.740
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations": 50688,
"number_observations_unique": 17439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 7.300
}
]
},
{
"resolution_limits": [2.90,2.54],
"number_observations": 51189,
"number_observations_unique": 17589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 9.160
}
]
},
{
"resolution_limits": [3.66,2.90],
"number_observations": 53057,
"number_observations_unique": 18287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 12.250
}
]
},
{
"resolution_limits": [30,3.66],
"number_observations": 53030,
"number_observations_unique": 18134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 17.300
}
]
}
]
}