Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "beae62a41f476f2aa8fed8a878d860af",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 69.11,
"b": 69.11,
"c": 167.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03874],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.555,2.900],
"number_observations_unique": 5773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.060,2.900],
"number_observations": 7941,
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [3.240,3.060],
"number_observations": 7635,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
{
"resolution_limits": [3.470,3.240],
"number_observations": 7155,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [3.740,3.470],
"number_observations": 6659,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [4.100,3.740],
"number_observations": 6109,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [4.590,4.100],
"number_observations": 5537,
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [5.290,4.590],
"number_observations": 4927,
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [6.480,5.290],
"number_observations": 4111,
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [9.170,6.480],
"number_observations": 3194,
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [34.555,9.170],
"number_observations": 1726,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}