Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00ad42fca9b0d38023b4ef3562cf1184",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.298,
"b": 61.843,
"c": 70.087,
"alpha": 90.00,
"beta": 102.22,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.498,2.700],
"number_observations_unique": 11245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.700],
"number_observations": 5983,
"number_observations_unique": 1625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations": 5772,
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations": 5327,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations": 4908,
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations": 4532,
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations": 4139,
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations": 3677,
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations": 3109,
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations": 2394,
"number_observations_unique": 663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [61.843,8.540],
"number_observations": 1296,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}