Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49f14444888aff326e6568045b700766",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 97.44,
"b": 97.44,
"c": 214.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00749],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.740,3.250],
"number_observations_unique": 8499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.390
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.50,3.25],
"number_observations": 13333,
"number_observations_unique": 1636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.00,3.50],
"number_observations": 17975,
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [5.00,4.00],
"number_observations": 17715,
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 24.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [10.00,5.00],
"number_observations": 16362,
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 38.7
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [15.00,10.00],
"number_observations": 1610,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 66.9
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [20.00,15.00],
"number_observations": 410,
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 63.4
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [48.740,20.00],
"number_observations": 281,
"number_observations_unique": 49,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 56.8
},
{
"type": "Completeness",
"value": 90.70
}
]
}
]
}