Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4819992b42d58a82724ace7ef689b14b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.339,
"b": 110.259,
"c": 84.418,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.973,1.360],
"number_observations": 1082293,
"number_observations_unique": 82313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.360],
"number_observations": 161039,
"number_observations_unique": 11924,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.254
},
{
"type": "R(meas)",
"value": 1.303
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [1.520,1.430],
"number_observations": 148186,
"number_observations_unique": 11230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.844
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [1.630,1.520],
"number_observations": 135266,
"number_observations_unique": 10657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [1.760,1.630],
"number_observations": 136021,
"number_observations_unique": 9901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
}
]
},
{
"resolution_limits": [1.920,1.760],
"number_observations": 121892,
"number_observations_unique": 9107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
{
"resolution_limits": [2.150,1.920],
"number_observations": 109322,
"number_observations_unique": 8278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.200
}
]
},
{
"resolution_limits": [2.480,2.150],
"number_observations": 99015,
"number_observations_unique": 7326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [3.040,2.480],
"number_observations": 76582,
"number_observations_unique": 6230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [4.300,3.040],
"number_observations": 62400,
"number_observations_unique": 4889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [46.158,4.300],
"number_observations": 32570,
"number_observations_unique": 2771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.800
}
]
}
]
}