Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5c755bd818a3a7df3d744112e7a8305",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 87.484,
"b": 49.871,
"c": 163.302,
"alpha": 90.00,
"beta": 97.12,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.497],
"number_observations": 171135,
"number_observations_unique": 48701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.497],
"number_observations_unique": 926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "Completeness",
"value": 62.500
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.040,2.910],
"number_observations_unique": 1121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 68.400
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations_unique": 1321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 80.500
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.000
}
]
},
{
"resolution_limits": [4.620,4.030],
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [5.810,4.620],
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [50.000,5.810],
"number_observations_unique": 1768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.400
}
]
}
]
}