Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3e9a0f995987ac297e3d7fb734f25e6",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.604,
"b": 89.828,
"c": 98.231,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.650],
"number_observations": 207351,
"number_observations_unique": 35747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations_unique": 3445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [1.780,1.710],
"number_observations_unique": 3507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.860,1.780],
"number_observations_unique": 3506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [1.960,1.860],
"number_observations_unique": 3553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations_unique": 3552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.240,2.080],
"number_observations_unique": 3553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.460,2.240],
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.820,2.460],
"number_observations_unique": 3621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.550,2.820],
"number_observations_unique": 3658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [50.000,3.550],
"number_observations_unique": 3764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.500
}
]
}
]
}