Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d8f9cdb53676acd9c6472fd1a6322be",
"space_group_name": "P 1",
"unit_cell": {
"a": 36.05,
"b": 53.64,
"c": 69.37,
"alpha": 87.46,
"beta": 79.03,
"gamma": 84.84
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.61,1.95],
"number_observations_unique": 31452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 84.9
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.23
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 44.8
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [2.100,2.02],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 56.1
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.2,2.100],
"number_observations_unique": 3147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 85.4
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.31,2.2],
"number_observations_unique": 3339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 90
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 3583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 3586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 3532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.3,2.91],
"number_observations_unique": 3598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.2,3.33],
"number_observations_unique": 3445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 29.9
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.61,4.2],
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.4
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}