Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6d610f16bcbb3d3ced7a63f0edb4648",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 35.117,
"b": 69.825,
"c": 104.554,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 36832,
"number_observations_unique": 8638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.632
},
{
"type": "Completeness",
"value": 83.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations_unique": 881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations_unique": 874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.310,3.420],
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [50.000,4.310],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}