Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "954a341d96f78b9e1da95ef1025c9e61",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 72.223,
"b": 72.223,
"c": 65.227,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.5500,2.040],
"number_observations_unique": 12776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.110,2.080],
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.300,2.250],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.350,2.300],
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.770,2.660],
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.890,2.770],
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.050,2.890],
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.240,3.050],
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.490,3.240],
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.840,3.490],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [4.390,3.840],
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [5.540,4.390],
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [50.000,5.540],
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}