Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1315178c964e04b344f4ac9814f8e5c4",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.39,
"b": 51.56,
"c": 92.71,
"alpha": 91.79,
"beta": 103.04,
"gamma": 110.10
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.93,1.300],
"number_observations_unique": 176098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.010
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.300],
"number_observations": 68839,
"number_observations_unique": 17265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.950
}
]
},
{
"resolution_limits": [1.400,1.350],
"number_observations": 68872,
"number_observations_unique": 17211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.980
}
]
},
{
"resolution_limits": [1.460,1.400],
"number_observations": 69513,
"number_observations_unique": 17347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.990
}
]
},
{
"resolution_limits": [1.540,1.460],
"number_observations": 70514,
"number_observations_unique": 17513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.010
}
]
},
{
"resolution_limits": [1.640,1.540],
"number_observations": 71096,
"number_observations_unique": 17567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.030
}
]
},
{
"resolution_limits": [1.760,1.640],
"number_observations": 71739,
"number_observations_unique": 17651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.050
}
]
},
{
"resolution_limits": [1.940,1.760],
"number_observations": 71801,
"number_observations_unique": 17712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.020
}
]
},
{
"resolution_limits": [2.220,1.940],
"number_observations": 71699,
"number_observations_unique": 17898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.960
}
]
},
{
"resolution_limits": [2.800,2.220],
"number_observations": 71926,
"number_observations_unique": 17941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.970
}
]
},
{
"resolution_limits": [19.920,2.800],
"number_observations": 75150,
"number_observations_unique": 17993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.130
}
]
}
]
}