Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14f08ee447871211df7f16955033be09",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 90.025,
"b": 90.025,
"c": 106.612,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.932,1.720],
"number_observations": 530495,
"number_observations_unique": 102241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 13.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.720],
"number_observations": 85631,
"number_observations_unique": 16476,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.136
},
{
"type": "R(meas)",
"value": 1.262
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [1.950,1.830],
"number_observations": 77312,
"number_observations_unique": 15590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 2.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [2.110,1.950],
"number_observations": 77271,
"number_observations_unique": 14472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.310,2.110],
"number_observations": 70444,
"number_observations_unique": 13312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.580,2.310],
"number_observations": 60913,
"number_observations_unique": 12052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 12.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.980,2.580],
"number_observations": 57488,
"number_observations_unique": 10596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 20.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.650,2.980],
"number_observations": 44950,
"number_observations_unique": 8954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.150,3.650],
"number_observations": 36622,
"number_observations_unique": 6961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 45.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.932,5.150],
"number_observations": 19864,
"number_observations_unique": 3828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 48.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}