{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ea84f4662a7819a83722051798f36ef2",
"space_group_name": "P 65",
"unit_cell": {
"a": 98.37,
"b": 98.37,
"c": 80.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.907,2.000],
"number_observations": 191765,
"number_observations_unique": 30074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 27638,
"number_observations_unique": 4352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 26566,
"number_observations_unique": 4175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 24829,
"number_observations_unique": 3887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 23112,
"number_observations_unique": 3613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 21433,
"number_observations_unique": 3342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 19303,
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 17132,
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 14549,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 11208,
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [31.191,6.320],
"number_observations": 5995,
"number_observations_unique": 985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}
|