{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff38830ca99a6a99024affdb2e6206a8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.309,
"b": 41.313,
"c": 71.971,
"alpha": 90.00,
"beta": 104.26,
"gamma": 90.00
},
"wavelengths": [0.97970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.753,1.219],
"number_observations": 459333,
"number_observations_unique": 68705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.220],
"number_observations": 50010,
"number_observations_unique": 8504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.360,1.290],
"number_observations": 64856,
"number_observations_unique": 9504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.460,1.360],
"number_observations": 60042,
"number_observations_unique": 9003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.570,1.460],
"number_observations": 58073,
"number_observations_unique": 8431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.720,1.570],
"number_observations": 52316,
"number_observations_unique": 7826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.930,1.720],
"number_observations": 49628,
"number_observations_unique": 7127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.230,1.930],
"number_observations": 42556,
"number_observations_unique": 6319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.730,2.230],
"number_observations": 37705,
"number_observations_unique": 5389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.860,2.730],
"number_observations": 28462,
"number_observations_unique": 4226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [69.753,3.860],
"number_observations": 15685,
"number_observations_unique": 2376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}
|