Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09758266d4fc8637c51ef154a6949f9a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 79.149,
"b": 79.149,
"c": 37.952,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.21549],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.411,1.198],
"number_observations": 125370,
"number_observations_unique": 35875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.260,1.200],
"number_observations": 14618,
"number_observations_unique": 4778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.521
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.340,1.260],
"number_observations": 17328,
"number_observations_unique": 5027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.430,1.340],
"number_observations": 16416,
"number_observations_unique": 4668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.550,1.430],
"number_observations": 15594,
"number_observations_unique": 4292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.690,1.550],
"number_observations": 14448,
"number_observations_unique": 3985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.890,1.690],
"number_observations": 13197,
"number_observations_unique": 3688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.190,1.890],
"number_observations": 11884,
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.680,2.190],
"number_observations": 9989,
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.790,2.680],
"number_observations": 7841,
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [31.411,3.790],
"number_observations": 4055,
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}