{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea3460414ad765de451b68724e00a3d8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.857,
"b": 74.857,
"c": 83.113,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.327,1.900],
"number_observations": 243616,
"number_observations_unique": 37312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"number_observations": 34347,
"number_observations_unique": 5311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.120,2.000],
"number_observations": 32411,
"number_observations_unique": 5093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.270,2.120],
"number_observations": 32470,
"number_observations_unique": 4790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.450,2.270],
"number_observations": 29160,
"number_observations_unique": 4484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.690,2.450],
"number_observations": 27088,
"number_observations_unique": 4135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.000,2.690],
"number_observations": 25337,
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.470,3.000],
"number_observations": 21450,
"number_observations_unique": 3326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.250,3.470],
"number_observations": 19215,
"number_observations_unique": 2856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [6.010,4.250],
"number_observations": 14189,
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [36.327,6.010],
"number_observations": 7949,
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}
|