{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2951e61119212a617f5ad785f5df3f78",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.57,
"b": 89.31,
"c": 100.01,
"alpha": 90.04,
"beta": 89.83,
"gamma": 79.61
},
"wavelengths": [0.91956],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.009,1.820],
"number_observations": 322703,
"number_observations_unique": 134652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.820],
"number_observations": 49457,
"number_observations_unique": 19589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.030,1.920],
"number_observations": 46456,
"number_observations_unique": 18416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.180,2.030],
"number_observations": 42856,
"number_observations_unique": 17315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.350,2.180],
"number_observations": 39982,
"number_observations_unique": 15981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.570,2.350],
"number_observations": 35526,
"number_observations_unique": 14782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [2.880,2.570],
"number_observations": 27535,
"number_observations_unique": 13482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.320,2.880],
"number_observations": 22136,
"number_observations_unique": 11963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [4.070,3.320],
"number_observations": 25925,
"number_observations_unique": 10615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [5.760,4.070],
"number_observations": 21659,
"number_observations_unique": 8228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [16.034,5.760],
"number_observations": 11171,
"number_observations_unique": 4281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
}
]
}
|