Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a912cd68ec2f727741453cff6ae28230",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.500,
"b": 149.356,
"c": 73.736,
"alpha": 90.00,
"beta": 104.43,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.678,1.956],
"number_observations_unique": 60849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,1.960],
"number_observations": 16955,
"number_observations_unique": 6820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 71.500
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.190,2.060],
"number_observations": 22069,
"number_observations_unique": 7777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.340,2.190],
"number_observations": 23397,
"number_observations_unique": 7948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.520,2.340],
"number_observations": 24965,
"number_observations_unique": 7812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.770,2.520],
"number_observations": 25712,
"number_observations_unique": 7261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.090,2.770],
"number_observations": 24573,
"number_observations_unique": 6621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.570,3.090],
"number_observations": 21845,
"number_observations_unique": 5793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.370,3.570],
"number_observations": 18804,
"number_observations_unique": 4947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 24.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.180,4.370],
"number_observations": 14568,
"number_observations_unique": 3826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [19.845,6.180],
"number_observations": 7701,
"number_observations_unique": 2044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.1
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}