Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f20a76b4689f5039045b999db87ddd0c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.668,
"b": 54.818,
"c": 180.755,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.87,2.05],
"number_observations_unique": 34354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 98.44
},
{
"type": "Redundancy",
"value": 12.46
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.13,2.05],
"number_observations_unique": 2942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 0.963
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 86.15
},
{
"type": "Redundancy",
"value": 9.13
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [2.21,2.13],
"number_observations_unique": 3370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.780
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 97.97
},
{
"type": "Redundancy",
"value": 11.42
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.31,2.21],
"number_observations_unique": 3431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.66
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.43,2.31],
"number_observations_unique": 3442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.45
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.59,2.43],
"number_observations_unique": 3470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.66
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.79,2.59],
"number_observations_unique": 3463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 99.97
},
{
"type": "Redundancy",
"value": 13.61
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.07,2.79],
"number_observations_unique": 3470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 21.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.05
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.51,3.07],
"number_observations_unique": 3502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 29.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.87
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.42,3.51],
"number_observations_unique": 3533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 36.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.32
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.87,4.42],
"number_observations_unique": 3731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 42.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.99
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}