Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8a0bdf14980f7820ad5ccb1d5870304",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.281,
"b": 118.983,
"c": 60.974,
"alpha": 90.00,
"beta": 106.87,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,1.800],
"number_observations": 303532,
"number_observations_unique": 57690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations_unique": 5451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.940,1.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.030,1.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.130,2.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.270,2.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.440,2.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.690,2.440],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.080,2.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.880,3.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [100.000,3.880],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}