Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7a63d2e006b46a2e2f31acc7fb2bf6f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 103.48,
"b": 167.48,
"c": 312.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95369,0.97937,0.97922],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.715,2.26],
"number_observations": 460901,
"number_observations_unique": 125291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 7.110
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 1.944
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.260],
"number_observations": 47010,
"number_observations_unique": 24163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.441
},
{
"type": "R(meas)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations": 45437,
"number_observations_unique": 23373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.540,2.430],
"number_observations": 47391,
"number_observations_unique": 24380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.680,2.540],
"number_observations": 49268,
"number_observations_unique": 25314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [2.850,2.680],
"number_observations": 46988,
"number_observations_unique": 24195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.070,2.850],
"number_observations": 45805,
"number_observations_unique": 23564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [3.370,3.070],
"number_observations": 43596,
"number_observations_unique": 22513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 93.800
}
]
},
{
"resolution_limits": [3.860,3.370],
"number_observations": 44441,
"number_observations_unique": 22958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 92.200
}
]
},
{
"resolution_limits": [4.850,3.860],
"number_observations": 43924,
"number_observations_unique": 22644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 92.200
}
]
},
{
"resolution_limits": [29.715,4.850],
"number_observations": 47041,
"number_observations_unique": 24001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 95.900
}
]
}
]
}