Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd66d44c0da550c8360bc04bc9d81939",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 97.206,
"b": 121.458,
"c": 47.164,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.603,1.400],
"number_observations": 1470878,
"number_observations_unique": 110666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.400],
"number_observations": 213713,
"number_observations_unique": 15969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.668
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
{
"resolution_limits": [1.570,1.480],
"number_observations": 205158,
"number_observations_unique": 15147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [1.670,1.570],
"number_observations": 191528,
"number_observations_unique": 14264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
}
]
},
{
"resolution_limits": [1.810,1.670],
"number_observations": 168301,
"number_observations_unique": 13301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
{
"resolution_limits": [1.980,1.810],
"number_observations": 152467,
"number_observations_unique": 12243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.210,1.980],
"number_observations": 150729,
"number_observations_unique": 11123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [2.560,2.210],
"number_observations": 136868,
"number_observations_unique": 9870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
}
]
},
{
"resolution_limits": [3.130,2.560],
"number_observations": 114508,
"number_observations_unique": 8412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [4.430,3.130],
"number_observations": 89670,
"number_observations_unique": 6574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
}
]
},
{
"resolution_limits": [48.603,4.430],
"number_observations": 47936,
"number_observations_unique": 3763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.700
}
]
}
]
}