Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0684920ec6dd0c9ab3b0ad75543f6b5b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.148,
"b": 41.024,
"c": 71.572,
"alpha": 90.00,
"beta": 103.96,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.024,1.500],
"number_observations": 262820,
"number_observations_unique": 37938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 37437,
"number_observations_unique": 5480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.680,1.580],
"number_observations": 35353,
"number_observations_unique": 5176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.790,1.680],
"number_observations": 33474,
"number_observations_unique": 4901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.940,1.790],
"number_observations": 30778,
"number_observations_unique": 4583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations": 29815,
"number_observations_unique": 4197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.370,2.120],
"number_observations": 27173,
"number_observations_unique": 3794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.740,2.370],
"number_observations": 23982,
"number_observations_unique": 3404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations": 19878,
"number_observations_unique": 2876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.740,3.350],
"number_observations": 16305,
"number_observations_unique": 2258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [41.024,4.740],
"number_observations": 8625,
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}