Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3d2a1db1e6b9ad95fd9a3ed24f36384",
"space_group_name": "P 63",
"unit_cell": {
"a": 36.368,
"b": 36.368,
"c": 62.826,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.496,3.605],
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 14.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.79,3.60],
"number_observations": 689,
"number_observations_unique": 45,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Redundancy",
"value": 15.30
}
]
},
{
"resolution_limits": [4.02,3.79],
"number_observations": 753,
"number_observations_unique": 46,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Redundancy",
"value": 16.40
}
]
},
{
"resolution_limits": [4.30,4.02],
"number_observations": 548,
"number_observations_unique": 35,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Redundancy",
"value": 15.70
}
]
},
{
"resolution_limits": [4.65,4.30],
"number_observations": 661,
"number_observations_unique": 44,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Redundancy",
"value": 15.00
}
]
},
{
"resolution_limits": [5.09,4.65],
"number_observations": 523,
"number_observations_unique": 33,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Redundancy",
"value": 15.80
}
]
},
{
"resolution_limits": [5.69,5.09],
"number_observations": 508,
"number_observations_unique": 36,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [6.57,5.69],
"number_observations": 436,
"number_observations_unique": 33,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [8.05,6.57],
"number_observations": 338,
"number_observations_unique": 27,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Redundancy",
"value": 12.50
}
]
},
{
"resolution_limits": [11.38,8.05],
"number_observations": 295,
"number_observations_unique": 23,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Redundancy",
"value": 12.80
}
]
},
{
"resolution_limits": [31.50,11.38],
"number_observations": 148,
"number_observations_unique": 17,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Redundancy",
"value": 8.70
}
]
}
]
}