Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a41c4ccf65a843d51bdb53d0d8a7f690",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.015,
"b": 55.261,
"c": 89.347,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.090],
"number_observations": 633565,
"number_observations_unique": 92579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.090],
"number_observations_unique": 8578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [1.170,1.130],
"number_observations_unique": 9236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.230,1.170],
"number_observations_unique": 9274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.290,1.230],
"number_observations_unique": 9283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.370,1.290],
"number_observations_unique": 9288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.480,1.370],
"number_observations_unique": 9289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.630,1.480],
"number_observations_unique": 9372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.860,1.630],
"number_observations_unique": 9396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.350,1.860],
"number_observations_unique": 9311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [30.000,2.350],
"number_observations_unique": 9552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}