Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fbb0d38388f90fa3e47b69bda20b762b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 57.77,
"b": 57.77,
"c": 149.94,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.000,1.520],
"number_observations_unique": 39358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.520],
"number_observations_unique": 3762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.640,1.570],
"number_observations_unique": 3887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.710,1.640],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.800,1.710],
"number_observations_unique": 3932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.920,1.800],
"number_observations_unique": 3925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.060,1.920],
"number_observations_unique": 3947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.270,2.060],
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.600,2.270],
"number_observations_unique": 3949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.280,2.600],
"number_observations_unique": 3979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [99.000,3.280],
"number_observations_unique": 4114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}