Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49664e084d15e5a5bab620e887f48648",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.803,
"b": 53.884,
"c": 193.165,
"alpha": 90.07,
"beta": 90.03,
"gamma": 66.39
},
"wavelengths": [0.97620,0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.850],
"number_observations": 314260,
"number_observations_unique": 165367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 16288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.990,1.920],
"number_observations_unique": 16378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.080,1.990],
"number_observations_unique": 16279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.190,2.080],
"number_observations_unique": 16249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.330,2.190],
"number_observations_unique": 16203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.510,2.330],
"number_observations_unique": 16112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.760,2.510],
"number_observations_unique": 16037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.160,2.760],
"number_observations_unique": 15989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.990,3.160],
"number_observations_unique": 15624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [50.000,3.990],
"number_observations_unique": 14986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 1.900
}
]
}
]
}