Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9253e6a0fd21b2852b9c46b90e03a409",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.251,
"b": 73.203,
"c": 52.936,
"alpha": 90.00,
"beta": 109.57,
"gamma": 90.00
},
"wavelengths": [0.89500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.636,1.190],
"number_observations": 428261,
"number_observations_unique": 101905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.850
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.202
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.190],
"number_observations": 63961,
"number_observations_unique": 15562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.656
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [1.350,1.260],
"number_observations": 64944,
"number_observations_unique": 15374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.450,1.350],
"number_observations": 60987,
"number_observations_unique": 14412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 5.150
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.590,1.450],
"number_observations": 56592,
"number_observations_unique": 13338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.780,1.590],
"number_observations": 51602,
"number_observations_unique": 12147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.050,1.780],
"number_observations": 45625,
"number_observations_unique": 10801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 21.180
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.510,2.050],
"number_observations": 38542,
"number_observations_unique": 9172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 28.240
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.550,2.510],
"number_observations": 29686,
"number_observations_unique": 7117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 33.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.636,3.550],
"number_observations": 16322,
"number_observations_unique": 3982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 37.460
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}