Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "853472d25b4251da85c2915675daf53d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.032,
"b": 41.009,
"c": 71.684,
"alpha": 90.00,
"beta": 104.13,
"gamma": 90.00
},
"wavelengths": [0.97680],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.760,0.980],
"number_observations": 754937,
"number_observations_unique": 114851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,0.980],
"number_observations": 65316,
"number_observations_unique": 11140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 56.700
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.100,1.030],
"number_observations": 81333,
"number_observations_unique": 13649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.170,1.100],
"number_observations": 85394,
"number_observations_unique": 14384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 81.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [1.260,1.170],
"number_observations": 100892,
"number_observations_unique": 15031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.390,1.260],
"number_observations": 96667,
"number_observations_unique": 14098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.550,1.390],
"number_observations": 91885,
"number_observations_unique": 12934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.790,1.550],
"number_observations": 81743,
"number_observations_unique": 11558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.190,1.790],
"number_observations": 69513,
"number_observations_unique": 9905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.100,2.190],
"number_observations": 52974,
"number_observations_unique": 7786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [40.760,3.100],
"number_observations": 29220,
"number_observations_unique": 4366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}