Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0697c960082ee33e6f935edea9997e02",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.482,
"b": 57.861,
"c": 119.913,
"alpha": 90.0,
"beta": 93.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [119.749,1.300],
"number_observations": 768537,
"number_observations_unique": 112222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.300],
"number_observations": 107560,
"number_observations_unique": 15955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.450,1.370],
"number_observations": 103256,
"number_observations_unique": 15189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.461
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.550,1.450],
"number_observations": 98028,
"number_observations_unique": 14418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.680,1.550],
"number_observations": 91812,
"number_observations_unique": 13481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.840,1.680],
"number_observations": 87167,
"number_observations_unique": 12505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.060,1.840],
"number_observations": 79226,
"number_observations_unique": 11401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.370,2.060],
"number_observations": 70320,
"number_observations_unique": 10103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.910,2.370],
"number_observations": 59598,
"number_observations_unique": 8661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.110,2.910],
"number_observations": 46106,
"number_observations_unique": 6718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [39.916,4.110],
"number_observations": 25464,
"number_observations_unique": 3791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}