Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fce4a4b7ed65cfc973154f40969f83bb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.05,
"b": 60.22,
"c": 48.03,
"alpha": 90.0,
"beta": 95.8,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.786,1.186],
"number_observations": 302881,
"number_observations_unique": 61610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.190],
"number_observations": 42804,
"number_observations_unique": 8895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [1.330,1.250],
"number_observations": 36699,
"number_observations_unique": 8413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.420,1.330],
"number_observations": 40903,
"number_observations_unique": 7976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [1.530,1.420],
"number_observations": 38625,
"number_observations_unique": 7440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [1.680,1.530],
"number_observations": 32149,
"number_observations_unique": 6823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [1.880,1.680],
"number_observations": 29010,
"number_observations_unique": 6201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.170,1.880],
"number_observations": 30892,
"number_observations_unique": 5520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.650,2.170],
"number_observations": 23771,
"number_observations_unique": 4683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [3.750,2.650],
"number_observations": 16950,
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [30.100,3.750],
"number_observations": 11078,
"number_observations_unique": 2035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}