{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56ea286841e8122912a2aba7b10ca4c0",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 108.51,
"b": 108.51,
"c": 95.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.728,2.300],
"number_observations": 232624,
"number_observations_unique": 25608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 34522,
"number_observations_unique": 3684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.679
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 32966,
"number_observations_unique": 3524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 30652,
"number_observations_unique": 3285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 28761,
"number_observations_unique": 3099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 26342,
"number_observations_unique": 2845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 23339,
"number_observations_unique": 2582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 17944,
"number_observations_unique": 2116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 17316,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 13295,
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [38.364,7.270],
"number_observations": 7487,
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 8.100
}
]
}
]
}
|