Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1f48d5f300f7db559a2d56ffc42c4ec",
"space_group_name": "P 63",
"unit_cell": {
"a": 84.00,
"b": 84.00,
"c": 75.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.495,1.800],
"number_observations": 318795,
"number_observations_unique": 28306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 46431,
"number_observations_unique": 4125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.010,1.900],
"number_observations": 43644,
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 41596,
"number_observations_unique": 3679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 38583,
"number_observations_unique": 3408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.550,2.320],
"number_observations": 35581,
"number_observations_unique": 3144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.850,2.550],
"number_observations": 32132,
"number_observations_unique": 2833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [3.290,2.850],
"number_observations": 28567,
"number_observations_unique": 2525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [4.020,3.290],
"number_observations": 24116,
"number_observations_unique": 2142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [5.690,4.020],
"number_observations": 18348,
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [27.495,5.690],
"number_observations": 9797,
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.500
}
]
}
]
}