Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f56ac4bf59738035cbc90ccc47f7da53",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.819,
"b": 91.005,
"c": 95.833,
"alpha": 90.00,
"beta": 97.53,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.006,2.097],
"number_observations": 331161,
"number_observations_unique": 48379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.100],
"number_observations": 47549,
"number_observations_unique": 6953,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.090
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.340,2.210],
"number_observations": 43204,
"number_observations_unique": 6625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 0.820
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.510,2.340],
"number_observations": 44882,
"number_observations_unique": 6280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.710,2.510],
"number_observations": 41556,
"number_observations_unique": 5885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.970,2.710],
"number_observations": 36553,
"number_observations_unique": 5370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.320,2.970],
"number_observations": 33701,
"number_observations_unique": 4892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.830,3.320],
"number_observations": 30465,
"number_observations_unique": 4328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.690,3.830],
"number_observations": 23380,
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [6.630,4.690],
"number_observations": 19718,
"number_observations_unique": 2838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [48.398,6.630],
"number_observations": 10153,
"number_observations_unique": 1584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}