Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06ff0f475bbec2f56c49a84c5968a907",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 46.663,
"b": 46.663,
"c": 406.110,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.7900],
"number_observations_unique": 50426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations_unique": 4814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations_unique": 4973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations_unique": 4948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations_unique": 4996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.270,2.130],
"number_observations_unique": 4957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.440,2.270],
"number_observations_unique": 5000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.690,2.440],
"number_observations_unique": 5033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.080,2.690],
"number_observations_unique": 5103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.880,3.080],
"number_observations_unique": 5175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [50.000,3.880],
"number_observations_unique": 5427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
}
]
}